SCHEMBL7398205

SCHEMBL7398205

CCOC(=O)CC1CCc2ccc(NC(=O)c3ccc(/C=N/N4CCCCC4)cc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MCHR1 Q99705 11/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL7398208 1.00 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7395363 1.00 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7394077 0.99 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7395353 0.99 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7395356 0.99 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7388895 0.98 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7388893 0.98 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7391506 0.97 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7394345 0.97 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7394346 0.97 ITGB3 (0.49) 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