SCHEMBL4729422

SCHEMBL4729422

CN(C)Cc1[c]occ1

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
SCHEMBL11441660 0.80 HRH3 (0.39)
SCHEMBL467306 0.75
SCHEMBL3651286 0.74
SCHEMBL2967532 0.71
SCHEMBL1243558 0.70
SCHEMBL1768412 0.70
SCHEMBL3947126 0.70
SCHEMBL10975005 0.70
SCHEMBL2454500 0.68
SCHEMBL18396913 0.67

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-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP claimed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO claimed
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP claimed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US claimed
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 EP claimed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP claimed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US claimed
JP-62153279-A None JP disclosed
WO-2008041037-A1 FUSED INDOLES AND INDAZOLES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-04-10 WO disclosed
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP disclosed
US-4837316-A ANTIULCER AGENTS FUJIREBIO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
US-4772704-A ANTIULCER AGENTS BRISTOL-MYERS COMPANY (US) 1988-09-20 US disclosed
JP-S62153279-A SUBSTITUTED PHENOXYPROPYLAMIDE DERIVATIVE AND PRODUCTION THEREOF FUJIREBIO INC 1987-07-08 JP disclosed
EP-0214823-A2 Alkylamide derivatives with H2-receptor antagonistic and cytoprotective action FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1987-03-18 EP disclosed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP disclosed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US disclosed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP disclosed