SCHEMBL7432255

SCHEMBL7432255

COCCOC(=O)CN1CCc2cc(NC(=O)c3ccc(C=NN4CCN(C)CC4)cc3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ABCB1 P08183 6/20 0.42
ABCG2 Q9UNQ0 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TMPRSS2 O15393 2/20 0.42
NOD1 Q9Y239 4/20 0.41
TNF P01375 3/20 0.41
PLAU P00749 2/20 0.41
NOD2 Q9HC29 2/20 0.40
CD38 P28907 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7432251 1.00 ITGB3 (0.48) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7446059 0.97 ITGB3 (0.44) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7446054 0.97 ITGB3 (0.44) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7394801 0.94 ITGB3 (0.48) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7394800 0.94 ITGB3 (0.48) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7434648 0.94 ITGB3 (0.48) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7434652 0.94 ITGB3 (0.48) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7429397 0.93 ITGB3 (0.50) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7429400 0.93 ITGB3 (0.50) ITGB3ITGA2BABCB1ABCG2NPC1
SCHEMBL7388945 0.92 ITGB3 (0.47) ITGB3ITGA2BABCB1ABCG2NPC1

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