SCHEMBL7394240

SCHEMBL7394240

CCCCCCCCOC(=O)CC1CCc2ccc(C(=O)Nc3ccc(C=NN4CCOCC4)cc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
NPC1 O15118 2/20 0.40
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MITF O75030 1/20 0.36
NTSR1 P30989 1/20 0.36
RAB9A P51151 1/20 0.36
DRD3 P35462 1/20 0.36
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7394237 1.00 ITGB3 (0.46) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7399162 0.97 ITGB3 (0.42) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7399163 0.97 ITGB3 (0.42) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7391663 0.97 ITGB3 (0.47) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7391661 0.97 ITGB3 (0.47) ITGB3ITGA2BNPC1MAPTSMN1; SMN2
SCHEMBL7398525 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1
SCHEMBL7388258 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1
SCHEMBL7388256 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1
SCHEMBL7396808 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1
SCHEMBL7398523 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1

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