SCHEMBL7429397

SCHEMBL7429397

CCOC(=O)CN1CCc2cc(NC(=O)c3ccc(/C=N/N4CCN(C)CC4)cc3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
NOD1 Q9Y239 5/20 0.47
TNF P01375 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NOD2 Q9HC29 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TMPRSS2 O15393 2/20 0.43
PLAU P00749 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 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
SCHEMBL7429400 1.00 ITGB3 (0.50) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7435483 0.97 NOD1 (0.47) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7435481 0.97 NOD1 (0.47) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7429656 0.95 NOD1 (0.47) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7429660 0.95 NOD1 (0.47) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7434648 0.94 ITGB3 (0.48) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7434652 0.94 ITGB3 (0.48) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7394271 0.93 ITGB3 (0.50) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7394269 0.93 ITGB3 (0.50) ITGB3ITGA2BNOD1TNFNPC1
SCHEMBL7446093 0.93 ITGB3 (0.47) ITGB3ITGA2BNOD1TNFNPC1

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