SCHEMBL6797582

SCHEMBL6797582

CC(C)(C)CC(C)(C)OOC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
ITGA2B P08514 4/20 0.41
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VDR P11473 1/20 0.36
USP30 Q70CQ3 4/20 0.36
NPY2R P49146 1/20 0.35
MTTP P55157 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL7544324 0.92 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL6801441 0.87 ALDH1A1 (0.41) ITGB3ITGAVITGA2BDRD3ALDH1A1
SCHEMBL383372 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL382677 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL6799964 0.83 DRD2 (0.39) ITGB3ITGAVITGA2BHDAC6DRD3
SCHEMBL6797577 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL382456 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL382847 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL6800155 0.79 ALDH1A1 (0.44) ITGB3ITGAVITGA2BSMN1; SMN2DRD3
SCHEMBL383238 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BVDRUSP30

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