SCHEMBL7394271

SCHEMBL7394271

CCOC(=O)CN1CCc2cc(NC(=O)c3ccc(C=NN4CCCCC4)cc3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
NOD1 Q9Y239 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TNF P01375 4/20 0.46
NOD2 Q9HC29 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL3 Q96JM7 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TMPRSS2 O15393 2/20 0.43

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
SCHEMBL7394269 1.00 ITGB3 (0.50) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7397692 0.97 NOD1 (0.46) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7397694 0.97 NOD1 (0.46) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7393160 0.95 NPC1 (0.48) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7393157 0.95 NPC1 (0.48) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7429397 0.93 ITGB3 (0.50) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7429400 0.93 ITGB3 (0.50) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7395096 0.93 ITGB3 (0.47) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7395097 0.93 ITGB3 (0.47) ITGB3ITGA2BNOD1NPC1RAB9A
SCHEMBL7394801 0.93 ITGB3 (0.48) ITGB3ITGA2BNOD1NPC1RAB9A

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