SCHEMBL171368

SCHEMBL171368

COCNc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.49
WNT3A P56704 2/20 0.47
GRM5 P41594 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
BTK Q06187 2/20 0.44
PRMT1 Q99873 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GRIN2B Q13224 1/20 0.42
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 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
SCHEMBL14544153 0.89 NAMPT (0.52) NAMPTWNT3AGRM5LNPEPBTK
SCHEMBL171543 0.85 GRIN2B (0.42) NAMPTCYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL13490526 0.84 GRM5 (0.53) NAMPTWNT3AGRM5LNPEPBTK
SCHEMBL30899650 0.81 GRM5 (0.52) NAMPTGRM5LNPEPBTKPRMT1
SCHEMBL30365847 0.81 GRM5 (0.52) NAMPTGRM5LNPEPBTKPRMT1
SCHEMBL13490532 0.81 GRM5 (0.52) NAMPTWNT3AGRM5LNPEPBTK
SCHEMBL1577496 0.81 GRM5 (0.52) NAMPTWNT3AGRM5LNPEPBTK
SCHEMBL171369 0.81 GRM5 (0.52) NAMPTWNT3AGRM5LNPEPBTK
SCHEMBL171485 0.81 GRM5 (0.52) NAMPTGRM5LNPEPBTKPRMT1
SCHEMBL13490533 0.80 GRM5 (0.50) NAMPTGRM5LNPEPBTKPRMT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed