SCHEMBL7392148

SCHEMBL7392148

O=C(O)CC1CCc2ccc(NC(=O)c3ccc(C=NN4CCSCC4)cc3)cc2C1CCO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
TRPV1 Q8NER1 1/20 0.35
CTSS P25774 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 3/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1F P30939 1/20 0.32
KCNA5 P22460 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7398724 0.94 ITGB3 (0.38) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7392449 0.92 RAB9A (0.42) ITGB3ITGA2BTRPV1CTSSNPC1
SCHEMBL7394889 0.92 ITGB3 (0.37) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7390234 0.91 ITGB3 (0.40) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7439409 0.91 CTSS (0.40) ITGB3ITGA2BCTSSNPC1LMNA
Hydrochloric Acid SCHEMBL7395647 0.91 ITGB3 (0.40) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7390246 0.91 ITGB3 (0.46) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7391195 0.89 ITGB3 (0.39) ITGB3ITGA2BTRPV1CTSSNPC1
SCHEMBL7386945 0.86 DRD3 (0.38) ITGB3ITGA2BTRPV1NPC1LMNA
SCHEMBL7394106 0.86 RAB9A (0.41) ITGB3ITGA2BNPC1LMNARAB9A

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