SCHEMBL660683

SCHEMBL660683

NC(=O)CCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.52
CAPN1 P07384 1/20 0.50
FFAR1 O14842 1/20 0.49
LMNA P02545 2/20 0.47
CYP17A1 P05093 1/20 0.46
HRH1 P35367 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPY5R Q15761 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1286084 0.89 HRH1 (0.53) LOXL2FFAR1LMNACYP17A1HRH1
SCHEMBL10769953 0.88 HRH1 (0.57) LOXL2FFAR1CYP17A1HRH1ALDH1A1
SCHEMBL7369203 0.86 HRH1 (0.60) LOXL2HRH1ALDH1A1HDAC2
SCHEMBL31351850 0.86 HRH1 (0.60) LOXL2HRH1ALDH1A1HDAC2
SCHEMBL18248576 0.86 HRH1 (0.60) LOXL2HRH1ALDH1A1HDAC2
SCHEMBL6573723 0.82 FFAR1 (0.52) LOXL2FFAR1LMNAHRH1NPY5R
SCHEMBL14889554 0.82 LOXL2 (0.47) LOXL2FFAR1LMNACYP17A1HRH1
SCHEMBL333186 0.80 FFAR1 (0.70) FFAR1LMNAALDH1A1NPY5RTDP1
SCHEMBL933900 0.79 CYP17A1 (0.51) FFAR1CYP17A1HRH1HDAC2CYP3A4
Hydrochloric Acid SCHEMBL8937697 0.78 FFAR1 (0.68) FFAR1LMNAALDH1A1NPY5RTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699005-A 3- (carboxy ethyl) -8- amino -2- oxo -1,3- aza-spiros-[4.5]Decane derivative 格吕伦塔尔有限公司 2018-10-23 CN claimed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN claimed
EP-2819671-A2 BINHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE Baruch S. Blumberg Institute (US) 2015-01-07 EP claimed
WO-2013130703-A2 BINHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2013-09-06 WO claimed
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN claimed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP claimed
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO claimed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
US-4943567-A EFFECTIVE AGAINST PSEUDOMONAS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-07-24 US claimed
EP-0293771-A2 Cephalosporin compound and pharmaceutical composition thereof Kyoto Pharmaceutical Industries, Ltd. (JP) 1988-12-07 EP claimed
WO-2024261328-A1 AMIDE-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
WO-2024131265-A1 COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF 中国科学院合肥物质科学研究院 2024-06-27 WO disclosed
CN-117304129-A Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition 中国医学科学院医药生物技术研究所 2023-12-29 CN disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed