SCHEMBL208986

SCHEMBL208986

COc1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
SIGMAR1 Q99720 1/20 0.62
POLB P06746 2/20 0.61
CHRNB2 P17787 2/20 0.61
CHRNB4 P30926 2/20 0.61
CHRNA3 P32297 2/20 0.61
CHRNA7 P36544 2/20 0.61
CHRNA4 P43681 2/20 0.61
GAA P10253 1/20 0.61
GPR183 P32249 1/20 0.61
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CCNC P24863 1/20 0.59
CDK8 P49336 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Piperazine SCHEMBL27980517 0.98 HPGD (0.71) HPGDSIGMAR1POLBCHRNB2CHRNB4
SCHEMBL20631562 0.88 HPGD (0.86) HPGDPOLBGAAGPR183ALDH1A1
SCHEMBL8256141 0.86 SIGMAR1 (0.66) HPGDSIGMAR1POLBCHRNB2CHRNB4
SCHEMBL8358137 0.86 SIGMAR1 (0.81) HPGDSIGMAR1ALDH1A1L3MBTL1
SCHEMBL2534411 0.84 HPGD (1.00) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL8660373 0.83 SIGMAR1 (0.62) HPGDSIGMAR1GPR183ALDH1A1CCNC
SCHEMBL16026516 0.83 ALDH1A1 (0.61) SIGMAR1GAAALDH1A1TSHR
SCHEMBL2535536 0.83 HPGD (0.96) HPGDPOLBGAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9621122 0.82 ALDH1A1 (0.60) HPGDSIGMAR1GAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL17559360 0.82 HPGD (0.63) HPGDSIGMAR1GPR183ALDH1A1CCNC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-101412708-A Duloxetine derivative and preparation thereof UNIV HEBEI TECHNOLOGY (CN) 2009-04-22 CN claimed
CN-117820287-B Magnolol derivative, and preparation method and application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119823089-A N-phenyl-2-azacyclic acetamide derivative, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2025-04-15 CN disclosed
CN-119143715-B Diaryl methylpiperazine compound and preparation method, pharmaceutical composition and application thereof 天津匠新致成科技有限公司 2025-03-14 CN disclosed
CN-119143715-A Diaryl methylpiperazine compound and preparation method, pharmaceutical composition and application thereof 天津匠新致成科技有限公司 2024-12-17 CN disclosed
CN-117820287-A Magnolol derivative, and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO disclosed
CN-112390751-B Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2022-07-05 CN disclosed
CN-112390751-A Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2021-02-23 CN disclosed
US-7157469-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-01-02 US disclosed
WO-2005056524-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-06-23 WO disclosed
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed
EP-0242957-B1 1-SUBSTITUTED ALKYL-1, 2-DIHYDRO-2-PYRAZINONE DERIVATIVES TOYO JOZO KABUSHIKI KAISHA (JP) 1990-09-12 EP disclosed
US-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 EP disclosed
US-4610984-A CEREBRAL INSUFFICIENCY CASSELLA AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0123977-A1 Substituted piperazin-1-yl-acetic-acid amides, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP disclosed