SCHEMBL7391663

SCHEMBL7391663

CCCCOC(=O)CC1CCc2ccc(C(=O)Nc3ccc(C=NN4CCOCC4)cc3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
NPC1 O15118 2/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MITF O75030 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37

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
SCHEMBL7391661 1.00 ITGB3 (0.47) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7394240 0.97 ITGB3 (0.46) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7394237 0.97 ITGB3 (0.46) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7390771 0.97 ITGB3 (0.43) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7390772 0.97 ITGB3 (0.43) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7393446 0.96 ITGB3 (0.53) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7393448 0.96 ITGB3 (0.53) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7399162 0.94 ITGB3 (0.42) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7399163 0.94 ITGB3 (0.42) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7393688 0.94 ITGB3 (0.51) ITGB3ITGA2BNPC1MAPTSMN1; SMN2

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
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed