SCHEMBL18415690

SCHEMBL18415690

O=C(Nc1cccc(OC[C@H](O)CO)n1)N1CCCC(F)(F)c2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ TRPV3 Q8NET8 2/20 0.33
▸ KIF18A Q8NI77 4/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ FGFR4 P22455 3/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ AVPR1B P47901 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL17655393 0.85 GPR52 (0.37) TRPV3KIF18ANPY5RFGFR4TRPV1
SCHEMBL18415692 0.83 GRM5 (0.36) GRM5CNR2TRPV3KIF18ACNR1
SCHEMBL12654413 0.83 GRM5 (0.45) GRM5CNR2CNR1
SCHEMBL12653784 0.83 CNR2 (0.51) GRM5CNR2NPY5RFGFR4CNR1
SCHEMBL12654219 0.81 FGFR4 (0.43) GRM5CNR2NPY5RFGFR4CNR1
SCHEMBL18415687 0.80 FGFR4 (0.42) FGFR4
SCHEMBL1812181 0.80 MPL (0.41) GRM5CNR2FGFR4CNR1
SCHEMBL17655422 0.80 KIF18A (0.36) TRPV3KIF18ANPY5RFGFR4TRPV1
SCHEMBL17655442 0.80 GPR52 (0.36) TRPV3KIF18ANPY5RFGFR4TRPV1
SCHEMBL12654415 0.79 GRM5 (0.34) GRM5CNR2TRPV3KIF18ACNR1

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
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
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