SCHEMBL6800334

SCHEMBL6800334

CC(C)(C)[C@](O)(CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
DRD3 P35462 7/20 0.43
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
CASR P41180 3/20 0.40
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
HDAC1 Q13547 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL383009 0.88 DRD2 (0.42) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6801474 0.85 DRD2 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6797887 0.84 RAB9A (0.54) KDM4ELMNAMAPTALDH1A1GFER
SCHEMBL383161 0.82 ITGB3 (0.47) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382447 0.81 ITGB3 (0.48) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6800344 0.81 DRD2 (0.43) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL423056 0.80 ITGB3 (0.40) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6799981 0.80 DRD2 (0.40) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL381721 0.80 ITGB3 (0.40) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL381767 0.79 ITGB3 (0.51) DRD2DRD3ITGB3ITGAVITGA2B

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