SCHEMBL7395705

SCHEMBL7395705

CCCCCCCCOC(=O)CC1CCc2ccc(C(=O)Nc3ccc(C=NN4CCSCC4)cc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
GPR35 Q9HC97 1/20 0.34
FAAH O00519 3/20 0.33

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
SCHEMBL7395702 1.00 ITGB3 (0.41) ITGB3ITGA2BMAPTTP53SMN1; SMN2
SCHEMBL7396168 0.97 MAPT (0.39) ITGB3ITGA2BMAPTTP53SMN1; SMN2
SCHEMBL7396171 0.97 MAPT (0.39) ITGB3ITGA2BMAPTTP53SMN1; SMN2
SCHEMBL7397660 0.96 ITGB3 (0.46) ITGB3ITGA2BMAPTMCHR1
SCHEMBL7397658 0.96 ITGB3 (0.46) ITGB3ITGA2BMAPTMCHR1
SCHEMBL7442609 0.93 ITGB3 (0.42) ITGB3ITGA2BMAPTTP53SMN1; SMN2
SCHEMBL7442613 0.93 ITGB3 (0.42) ITGB3ITGA2BMAPTTP53SMN1; SMN2
SCHEMBL7397300 0.93 ITGB3 (0.48) ITGB3ITGA2BMAPTHPGDTSHR
SCHEMBL7397298 0.93 ITGB3 (0.48) ITGB3ITGA2BMAPTHPGDTSHR
SCHEMBL7386944 0.92 ITGB3 (0.43) ITGB3ITGA2BMAPTSMN1; SMN2MCHR1

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