SCHEMBL7328359

SCHEMBL7328359

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(C#Cc3cccc(C#N)c3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GRM5 P41594 3/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
FFAR1 O14842 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
SCHEMBL7323709 0.92 MAPT (0.39) ITGB3ITGA2BMAPTPKMALDH1A1
SCHEMBL7328657 0.91 MAPT (0.40) ITGB3ITGA2BMAPTPKMALDH1A1
SCHEMBL7331716 0.88 ITGB3 (0.41) ITGB3ITGA2BMAPTPKMALDH1A1
SCHEMBL7320902 0.87 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7330261 0.87 ITGB3 (0.55) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7324841 0.87 ITGB3 (0.44) ITGB3ITGA2BMAPTALDH1A1KMT2A
SCHEMBL7322812 0.86 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7328993 0.83 MAPT (0.39) ITGB3ITGA2BMAPTPKMALDH1A1
SCHEMBL7357140 0.83 MAPT (0.37) ITGB3ITGA2BMAPTPKMALDH1A1
SCHEMBL7334703 0.82 MAPT (0.39) MAPTPKMALDH1A1MAPK1NPSR1

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 5 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
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