SCHEMBL742732

SCHEMBL742732

C1=CNC2=C(C1)CCCC2

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
SCHEMBL2501037 0.70
SCHEMBL21900701 0.67
SCHEMBL3221127 0.67 TSHR (0.37)
SCHEMBL2504471 0.66
SCHEMBL5322983 0.66 MEN1 (0.30)
SCHEMBL11665896 0.64 TSHR (0.35)
SCHEMBL5226067 0.60
SCHEMBL1644470 0.60
SCHEMBL30395470 0.60 PLAU (0.33)
SCHEMBL11924606 0.60

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND NANKAI UNIVERSITY (CN) 2026-04-30 US disclosed
WO-2024216732-A1 METHOD FOR PREPARING PYRIDINE COMPOUND WITH META POSITION THEREOF SUBSTITUTED BY CHIRAL ALLYL 南开大学 2024-10-24 WO disclosed
CN-116396211-B Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2024-10-01 CN disclosed
CN-116396211-A Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2023-07-07 CN disclosed
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-8017782-B2 hypogonadism and male infertility; ovulation induction N.V. ORGANON (NL) 2011-09-13 US disclosed
US-20080262033-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility MERCK SHARP & DOHME B.V. (NL) 2008-10-23 US disclosed
EP-1879581-B1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-09-03 EP disclosed
EP-1879581-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-23 EP disclosed
WO-2006117371-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 WO disclosed
WO-2006065842-A2 5,6,7,8-TETRAHYDROQUINOLINES AND RELATED COMPOUNDS AND USES THEREOF SYNTA PHARMACEUTICALS CORP. (US) 2006-06-22 WO disclosed
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP disclosed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US disclosed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO disclosed