SCHEMBL7388945

SCHEMBL7388945

COCCOC(=O)CN1CCc2cc(NC(=O)c3ccc(/C=N/N4CCOCC4)cc3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TMPRSS2 O15393 2/20 0.41
TNF P01375 4/20 0.40
NOD1 Q9Y239 4/20 0.40
ABCB1 P08183 5/20 0.40
ABCG2 Q9UNQ0 5/20 0.40
PLAU P00749 2/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOD2 Q9HC29 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
S1PR2 O95136 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7388948 1.00 ITGB3 (0.47) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7386680 0.97 ITGB3 (0.43) ITGB3ITGA2BTNFNOD1ABCB1
SCHEMBL7386681 0.97 ITGB3 (0.43) ITGB3ITGA2BTNFNOD1ABCB1
SCHEMBL7396801 0.94 ITGB3 (0.49) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7396800 0.94 ITGB3 (0.49) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7392485 0.93 ITGB3 (0.47) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7392488 0.93 ITGB3 (0.47) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7396742 0.93 ITGB3 (0.50) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7396743 0.93 ITGB3 (0.50) ITGB3ITGA2BTMPRSS2TNFNOD1
SCHEMBL7398226 0.92 ITGB3 (0.46) ITGB3ITGA2BTMPRSS2TNFNOD1

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