SCHEMBL12654191

SCHEMBL12654191

O=C(Nc1ccccn1)N1CCCc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 18/20 0.62
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR2 P34972 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
SCHEMBL12654633 0.89 FGFR4 (0.48) FGFR4
SCHEMBL12654216 0.89 FGFR4 (0.62) FGFR4CNR2
SCHEMBL12654399 0.88 FGFR4 (0.59) FGFR4CYP2C9
SCHEMBL12653785 0.86 FGFR4 (0.59) FGFR4CNR2
SCHEMBL12654527 0.85 FGFR4 (0.56) FGFR4CYP1A2CYP2C9
SCHEMBL16775864 0.85 FGFR4 (0.44) FGFR4NPC1LMNACYP1A2CYP2C9
SCHEMBL12654401 0.85 CREBBP (0.44) FGFR4CYP1A2CYP2C9CYP2C19
SCHEMBL12654638 0.84 FGFR4 (0.45) FGFR4
SCHEMBL12653810 0.82 FGFR4 (0.52) FGFR4LMNACYP1A2CNR2
SCHEMBL12654193 0.82 HTR2C (0.50) FGFR4

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 4 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
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
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