SCHEMBL7318519

SCHEMBL7318519

CCOC(=O)CC1CCc2ccc(N(C)C(=O)c3ccc(C=NN4CCSCC4)cc3)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
SMN1; SMN2 Q16637 7/20 0.32
MAPT P10636 6/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 3/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL7316347 0.97 MCHR1 (0.33) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7392480 0.95 ITGB3 (0.33) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7311917 0.91 MAPT (0.43) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7318811 0.88 MAPT (0.43) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7392907 0.87 MAPT (0.43) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7387131 0.86 SMN1; SMN2 (0.33) ITGB3ITGA2BSMN1; SMN2MAPTALDH1A1
SCHEMBL7396723 0.86 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL7390233 0.85 ITGB3 (0.49) ITGB3ITGA2BMCHR1
SCHEMBL7390232 0.85 ITGB3 (0.49) ITGB3ITGA2BMCHR1
SCHEMBL7386944 0.85 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2MAPTNPC1

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 3 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
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed