SCHEMBL7312559

SCHEMBL7312559

COC(=O)CN1C(=O)C(NC(=O)OCC2c3ccccc3-c3ccccc32)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.57
CCKAR P32238 3/20 0.57
SENP1 Q9P0U3 1/20 0.56
BRD4 O60885 3/20 0.48
BRD2 P25440 3/20 0.48
BRD3 Q15059 3/20 0.48

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
SCHEMBL8939498 0.79 SENP1 (0.73) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL9865538 0.79 SENP1 (0.73) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8711261 0.78 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8939417 0.78 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8711263 0.78 SENP1 (0.79) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8585550 0.78 CCKBR (0.71) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8585545 0.78 CCKBR (0.71) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8534744 0.77 CCKBR (0.62) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL8534751 0.77 CCKBR (0.62) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL7318234 0.77 GABRP (0.59) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994893-B1 SELECTIVE FACTOR XA INHIBITORS CONTAINING A FUSED AZEPINONE STRUCTURE COR THERAPEUTICS INC (US) 2002-01-02 EP disclosed
US-6333321-B1 FOR THERAPY OF UNSTABLE ANGINA, REFRACTORY ANGINA, MYOCARDIAL INFARCTION, TRANSIENT ISCHEMIC ATTACKS, THROMBOTIC STROKE, EMBOLIC STROKE, DISSEMINATED INTRAVASCULAR COAGULATION, DEEP VENOUS THROMBOSIS, PULMONARY EMBOLISM, AND REOCCLUSION COR THERAPEUTICS, INC. 2001-12-25 US disclosed
EP-0994893-A1 SELECTIVE FACTOR XA INHIBITORS CONTAINING A FUSED AZEPINONE STRUCTURE COR THERAPEUTICS, INC. (US) 2000-04-26 EP disclosed
WO-1999007730-A1 SELECTIVE FACTOR Xa INHIBITORS CONTAINING A FUSED AZEPINONE STRUCTURE COR THERAPEUTICS, INC. (US) 1999-02-18 WO disclosed