SCHEMBL7318985

SCHEMBL7318985

COC(=O)C[C@H](C)NC(=O)c1cc(I)ccc1Nc1c(C)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.38
PYGL P06737 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7321127 0.77 ALDH1A1 (0.36) TACR3SMN1; SMN2POLB
SCHEMBL7329567 0.74 ATM (0.40) SMN1; SMN2POLB
SCHEMBL8837019 0.73 TACR3 (0.36) TACR3SMN1; SMN2
SCHEMBL7329352 0.71 ALDH1A1 (0.38) TACR3SMN1; SMN2
SCHEMBL3240189 0.70 POLB (0.46) SMN1; SMN2POLB
SCHEMBL7330770 0.70 THRB (0.36) CYP2C9POLB
SCHEMBL7331581 0.69 THRB (0.36) SMN1; SMN2CYP2C9POLB
SCHEMBL7334505 0.69 PPID (0.40) SMN1; SMN2POLB
SCHEMBL11799846 0.66 FTO (0.58) CYP2C9POLB
SCHEMBL7325460 0.66 PTPRC (0.38) PYGLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed