SCHEMBL7316347

SCHEMBL7316347

CCOC(=O)CC1CCc2cc(N(C)C(=O)c3ccc(C=NN4CCSCC4)cc3)ccc2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL7318519 0.97 ITGB3 (0.33) MCHR1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7392480 0.92 ITGB3 (0.33) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL7318811 0.91 MAPT (0.43) MCHR1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7311917 0.88 MAPT (0.43) MCHR1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7395083 0.87 MAPT (0.43) MCHR1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL7387131 0.86 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL7396723 0.86 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL7394841 0.85 ITGB3 (0.42) MCHR1ITGB3ITGA2B
SCHEMBL7388125 0.85 ITGB3 (0.47) MCHR1ITGB3ITGA2B
SCHEMBL7394843 0.85 ITGB3 (0.42) MCHR1ITGB3ITGA2B

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