SCHEMBL7426151

SCHEMBL7426151

COC(=O)CN1CCc2ccc(NC(=O)c3ccc(/C=N/N4CCN(C)CC4)cc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ABCB1 P08183 5/20 0.43
ABCG2 Q9UNQ0 5/20 0.43
ROCK2 O75116 3/20 0.43
CYP3A4 P08684 1/20 0.43
NOD1 Q9Y239 2/20 0.42
TNF P01375 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ROCK1 Q13464 1/20 0.41
TMPRSS2 O15393 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7426156 1.00 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7435483 0.93 NOD1 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7435481 0.93 NOD1 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7386699 0.93 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7386697 0.93 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7446059 0.93 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7446054 0.93 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL7389172 0.91 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7389175 0.91 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2NPC1MAPT
SCHEMBL7398729 0.91 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2ABCB1ABCG2

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