SCHEMBL7324345

SCHEMBL7324345

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(CCc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
FFAR1 O14842 1/20 0.34
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7324239 0.91 MEN1 (0.37) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL7320902 0.90 ITGB3 (0.44) GRM5ITGB3ITGA2BGABRA1GABRG2
SCHEMBL7328657 0.89 MAPT (0.40) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7363260 0.89 ITGB3 (0.34) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330255 0.89 ITGB3 (0.45) GRM5ITGB3ITGA2BGABRA1GABRG2
SCHEMBL7330796 0.88 GABRA1 (0.36) GRM5ITGB3ITGA2BGABRA1GABRG2
SCHEMBL7327871 0.87 ITGB3 (0.35) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324070 0.82 ELANE (0.36) GRM5PDCD1CD274FFAR1POLB
SCHEMBL7327008 0.81 TNF (0.37) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL7322816 0.81 MEN1 (0.38) GRM5ITGB3ITGA2BGABRA1GABRG2

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
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