SCHEMBL7397379

SCHEMBL7397379

CCOC(=O)CN1CCc2ccc(NC(=O)c3ccc(/C=N/N4CCOCC4)cc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.45
RAB9A P51151 5/20 0.45
TNF P01375 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NOD2 Q9HC29 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
STAT3 P40763 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1I3 Q14994 1/20 0.41
S1PR2 O95136 1/20 0.41

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
SCHEMBL7397382 1.00 NOD1 (0.45) NOD1RAB9ATNFNPC1MEN1
Hydrochloric Acid SCHEMBL7393599 0.99 NOD1 (0.45) NOD1RAB9ATNFNPC1MEN1
Hydrochloric Acid SCHEMBL7393598 0.99 NOD1 (0.45) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7396800 0.97 ITGB3 (0.49) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7396801 0.97 ITGB3 (0.49) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7393412 0.95 ITGB3 (0.43) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7393407 0.95 ITGB3 (0.43) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7396215 0.95 ALDH1A1 (0.46) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7396213 0.95 ALDH1A1 (0.46) NOD1RAB9ATNFNPC1MEN1
SCHEMBL7389172 0.94 ITGB3 (0.46) NOD1RAB9ATNFNPC1MEN1

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