SCHEMBL6800344

SCHEMBL6800344

CC(C)(C)C(O)(CC(=O)O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD3 P35462 8/20 0.43
CASR P41180 2/20 0.39
HDAC1 Q13547 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
USP2 O75604 1/20 0.38
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL381766 0.88 DRD2 (0.42) DRD2DRD3CASRHDAC1CNR1
SCHEMBL6801456 0.85 DRD2 (0.41) DRD2DRD3CASRHDAC1CNR1
SCHEMBL6797899 0.84 RAB9A (0.54) ALDH1A1CHRNA7CHRNA10CHRNA9NPC1
SCHEMBL383159 0.82 ITGB3 (0.44) DRD2DRD3CASRHDAC1ITGB3
SCHEMBL382445 0.81 ITGB3 (0.46) DRD2DRD3CASRHDAC1ITGB3
SCHEMBL381719 0.81 SYK (0.40) DRD2DRD3CASRITGB3ITGAV
SCHEMBL6800334 0.81 DRD2 (0.43) DRD2DRD3CASRHDAC1ALDH1A1
SCHEMBL6799972 0.80 DRD2 (0.40) DRD2DRD3CASRHDAC1CNR1
SCHEMBL383009 0.78 DRD2 (0.42) DRD2DRD3CASRHDAC1ITGB3
SCHEMBL6496356 0.78 HDAC1 (0.41) DRD2DRD3HDAC1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US claimed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed