SCHEMBL10259172

SCHEMBL10259172

CN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3F)c2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 16/20 0.54
▸ HTR1F P30939 3/20 0.51
▸ KMT2A Q03164 1/20 0.47

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
Hydrochloric Acid SCHEMBL4506328 0.99 GPR6 (0.53) GPR6HTR1FKMT2A
SCHEMBL4504390 0.90 HTR1F (0.49) GPR6HTR1FKMT2A
SCHEMBL4506654 0.88 HTR1F (0.53) GPR6HTR1FKMT2A
SCHEMBL4493318 0.85 ALDH1A1 (0.47) GPR6HTR1FKMT2A
SCHEMBL4503794 0.85 HTR1F (0.49) GPR6HTR1FKMT2A
SCHEMBL10259733 0.83 HTR1F (0.51) GPR6HTR1FKMT2A
SCHEMBL4494292 0.83 HTR1F (0.53) HTR1FKMT2A
SCHEMBL4504844 0.83 HTR1F (0.53) GPR6HTR1FKMT2A
Hydrochloric Acid SCHEMBL4514308 0.82 HTR1F (0.50) GPR6HTR1FKMT2A
SCHEMBL10261060 0.82 GSK3B (0.56) HTR1FKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 — — EP disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 — — US disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 — — US disclosed
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