SCHEMBL7435481

SCHEMBL7435481

CCOC(=O)CN1CCc2ccc(NC(=O)c3ccc(/C=N/N4CCN(C)CC4)cc3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 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
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
ABCB1 P08183 4/20 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
SCHEMBL7435483 1.00 NOD1 (0.47) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7429397 0.97 ITGB3 (0.50) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7429400 0.97 ITGB3 (0.50) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7435647 0.95 NOD1 (0.47) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7435636 0.95 NOD1 (0.47) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7397694 0.93 NOD1 (0.46) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7397692 0.93 NOD1 (0.46) NOD1TNFNPC1RAB9AMEN1
SCHEMBL7426156 0.93 ITGB3 (0.47) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7426151 0.93 ITGB3 (0.47) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7432253 0.93 MAPT (0.45) NOD1TNFNPC1RAB9AMEN1

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