SCHEMBL7652758

SCHEMBL7652758

COc1ccc(CN2CCN=C2NC2CCN(c3ccc(C(=O)NCCC(=O)ONS(=O)(=O)c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 3/20 0.40
OPRM1 P35372 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TGM6 O95932 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL382657 0.87 ALDH1A1 (0.42) GFERITGB3ITGAVITGA2BALDH1A1
SCHEMBL7652751 0.84 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL382660 0.83 MAPT (0.42) GFERITGB3ITGAVITGA2BALDH1A1
SCHEMBL7652767 0.82 ITGB3 (0.44) GFERITGB3ITGAVITGA2BALDH1A1
SCHEMBL382658 0.80 MAPT (0.40) GFERITGB3ITGAVITGA2BALDH1A1
SCHEMBL382763 0.79 ITGB3 (0.48) GFERITGB3ITGAVITGA2B
SCHEMBL382659 0.77 ITGAV (0.51) ITGB3ITGAVITGA2BLMNASMN1; SMN2
SCHEMBL7654735 0.77 ITGB3 (0.66) GFERITGB3ITGAVITGA2B
SCHEMBL7655428 0.75 HPGDS (0.44) ITGB3ITGAVITGA2BALDH1A1KMT2A
SCHEMBL383045 0.75 MAPT (0.42) ALDH1A1LMNAKMT2AMEN1MAPT

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-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed