SCHEMBL7394652

SCHEMBL7394652

CCOC(=O)CC1CCc2cc(C(=O)Nc3ccc(C=NN4CCCCC4)cc3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
MCHR1 Q99705 11/20 0.42

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
SCHEMBL7394650 1.00 NPC1 (0.46) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7394158 0.97 NPC1 (0.46) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7394156 0.97 NPC1 (0.46) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7394346 0.95 ITGB3 (0.49) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7394345 0.95 ITGB3 (0.49) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7391506 0.95 ITGB3 (0.49) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7386957 0.94 ITGB3 (0.49) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7386955 0.94 ITGB3 (0.49) NPC1LMNARAB9ASMN1; SMN2ITGB3
SCHEMBL7431155 0.93 ITGB3 (0.43) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B
SCHEMBL7431149 0.93 ITGB3 (0.43) NPC1RAB9ASMN1; SMN2ITGB3ITGA2B

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