SCHEMBL7444769

SCHEMBL7444769

Cc1c(OC(=O)N(CCC(=O)O)c2ccccc2)ccc2[nH]c(CCc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.40
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
TMPRSS15 P98073 7/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PRSS1 P07477 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
Hydrochloric Acid SCHEMBL7442314 0.99 F2 (0.39) F2ITGB3ITGA2BTMPRSS15BRD4
SCHEMBL7445456 0.97 F2 (0.41) F2ITGB3ITGA2BTMPRSS15BRD4
Hydrochloric Acid SCHEMBL7448177 0.92 F2 (0.39) F2ITGB3ITGA2BTMPRSS15BRD4
Hydrochloric Acid SCHEMBL7445287 0.92 F2 (0.45) F2ITGB3ITGA2BTMPRSS15BRD4
SCHEMBL7445932 0.91 F2 (0.41) F2ITGB3ITGA2BTMPRSS15BRD4
SCHEMBL7453241 0.88 F2 (0.48) F2PRSS1
SCHEMBL7445263 0.88 F2 (0.38) F2ITGB3ITGA2BTMPRSS15
Hydrochloric Acid SCHEMBL7449466 0.87 F2 (0.40) F2ITGB3ITGA2BBRD4CREBBP
SCHEMBL7445168 0.85 F2 (0.51) F2PRSS1
Hydrochloric Acid SCHEMBL7449253 0.84 F2 (0.50) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3343359-B2 2002-11-11 JP claimed
JP-2001509815-A 2001-07-24 JP claimed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP claimed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO claimed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed