SCHEMBL7428490

SCHEMBL7428490

CN1CCN(C(=N)c2ccc(NC(=O)c3ccc4c(c3)OCC(CC(=O)O)C4)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.68
ITGA2B P08514 11/20 0.68
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 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
SCHEMBL7427702 0.94 ITGB3 (0.73) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7433090 0.93 ITGB3 (0.76) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7399141 0.93 ITGB3 (0.68) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7390053 0.92 ITGB3 (0.80) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7398467 0.91 ITGB3 (0.66) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7431646 0.89 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7390269 0.87 ITGB3 (0.73) ITGB3ITGA2BRAB9ASMN1; SMN2MAPT
SCHEMBL7394021 0.86 ITGB3 (0.86) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7395631 0.85 ITGB3 (0.71) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7387428 0.85 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9ASMN1; 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