SCHEMBL3602233

SCHEMBL3602233

CC(N)c1[c]cccc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28857777 1.00
SCHEMBL28659321 1.00
SCHEMBL6605907 0.82 DPP4 (0.32)
SCHEMBL17002637 0.80 DPP4 (0.32)
SCHEMBL7453028 0.80
SCHEMBL96104 0.80
SCHEMBL4433093 0.80
SCHEMBL27626884 0.78 GABRA1 (0.31)
SCHEMBL27540844 0.77
SCHEMBL3588998 0.77 TAAR1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507945-B Pyrrolo- [2,3 B] pyrazine as SYK inhibitor 霍夫曼-拉罗奇有限公司 2018-03-23 CN claimed
CN-105289481-A Solvent oil refined adsorbent and preparation method thereof SHANDONG CHENG TAI CHEMICAL CO LTD 2016-02-03 CN claimed
CN-105198691-A Synthesis method for p-xylene SHANDONG CHENGTAI CHEMICAL CO LTD 2015-12-30 CN claimed
CN-100522359-C Method for preparing catalyst for methylbenzene shape selective disproportionation reaction to synthesizing para-xylene CHINA PETROLEUM & CHEMICAL (CN) 2009-08-05 CN claimed
CN-101121140-A Method for preparing catalyst for methylbenzene shape selective disproportionation reaction to synthesizing para-xylene CHINA PETROLEUM & CHEMICAL (CN) 2008-02-13 CN claimed
EP-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP claimed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US claimed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US claimed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
WO-2024092185-A1 ACYL SULFONAMIDE COMPOUNDS AS INHIBITORS OF POLYOMAVIRUS VIA NOVA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20230293702-A1 QUINAZOLINES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-09-21 US disclosed
WO-2023178130-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-09-21 WO disclosed
US-10160769-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-12-25 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed
EP-0227818-A1 ANTIGLAUCOMA COMPOSITIONS. SCHERING CORP (US) 1987-07-08 EP disclosed
WO-1987000055-A1 ANTIGLAUCOMA COMPOSITIONS SCHERING CORPORATION (US) 1987-01-15 WO disclosed
US-4389417-A INDANYLOXYACETIC ACIDS MERCK & CO., INC. (US) 1983-06-21 US disclosed
US-4098860-A PRODUCTION OF BIAXIALLY DRAWN FILM OF POLYAMIDE BLEND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1978-07-04 US disclosed