SCHEMBL7393448

SCHEMBL7393448

CCCCOC(=O)CC1CCc2ccc(NC(=O)c3ccc(C=NN4CCOCC4)cc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
NPC1 O15118 1/20 0.42
MCHR1 Q99705 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7393446 1.00 ITGB3 (0.53) ITGB3ITGA2BNPC1MCHR1ALDH1A1
SCHEMBL7395704 0.98 ITGB3 (0.52) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7395700 0.98 ITGB3 (0.52) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7396808 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7388256 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7398523 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7398525 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7388258 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7396810 0.97 ITGB3 (0.51) ITGB3ITGA2BNPC1MCHR1
SCHEMBL7386023 0.97 ITGB3 (0.49) ITGB3ITGA2BNPC1MCHR1ALDH1A1

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