SCHEMBL958642

SCHEMBL958642

COc1cc(C)[c]cn1

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
SCHEMBL19435875 0.78 PLAU (0.35)
SCHEMBL1886864 0.77 LOX (0.34)
SCHEMBL20240566 0.77 GABRP (0.38)
SCHEMBL4927705 0.76
SCHEMBL4922129 0.76
SCHEMBL16742725 0.75 F2RL3 (0.31)
SCHEMBL20240594 0.74 GABRP (0.41)
SCHEMBL20240824 0.72 LOX (0.40)
SCHEMBL4885716 0.72 LOX (0.32)
SCHEMBL3135272 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 US claimed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO claimed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US claimed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO claimed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US claimed
EP-1049699-B1 PYRAZOLOTRIAZINES AS CRF ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-21 EP claimed
US-6191131-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-02-20 US claimed
EP-1049699-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 2000-11-08 EP claimed
WO-1999038868-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-05 WO claimed
US-11713324-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-01 US disclosed
US-20210284653-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2021-09-16 US disclosed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 CN disclosed
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
US-10941159-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-03-09 US disclosed
EP-1344779-A1 Azolo-pyrimidines Bristol-Myers Squibb Pharma Company (US) 2003-09-17 EP disclosed
US-6358950-B1 ADMINISTERING (1,5-A)-PYRAZOLO-1,3,5-TRIAZINE DERIVATIVES AS ANXIOLYTIC AGENTS AND ANTIDEPRESSANTS; CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; CARDIOVASCULAR, AUTOIMMUNE, NERVOUS SYSTEM, EATING, AND PSYCHOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-19 US disclosed
US-6191131-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-02-20 US disclosed
EP-1049699-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999038868-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-05 WO disclosed