SCHEMBL7434113

SCHEMBL7434113

CCOC(=O)CC1CCc2ccc(C(=O)Nc3ccc(/C=N/N4CCN(C)CC4)cc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCHR1 Q99705 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
DRD3 P35462 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7434115 1.00 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7431155 0.97 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7431149 0.97 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7431000 0.95 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7430993 0.95 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7391201 0.94 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL7391200 0.94 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7394158 0.93 NPC1 (0.46) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7394156 0.93 NPC1 (0.46) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL7393690 0.93 ITGB3 (0.51) 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 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