SCHEMBL10258669

SCHEMBL10258669

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 17/20 0.66
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTR1A P08908 8/20 0.54
▸ HTR1D P28221 6/20 0.54
▸ HTR1B P28222 5/20 0.54
▸ KCNK3 O14649 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.51
▸ UBE2M P61081 1/20 0.51
▸ DCUN1D1 Q96GG9 1/20 0.51

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 SCHEMBL4494274 0.99 HTR1F (0.65) HTR1FMEN1KMT2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL4494266 0.98 HTR1F (0.64) HTR1FMEN1KMT2AHTR1AHTR1D
SCHEMBL4507335 0.89 HTR1F (0.53) HTR1FMEN1KMT2AHTR1AHTR1D
SCHEMBL4495882 0.87 KCNK3 (0.51) HTR1FMEN1KMT2AHTR1AHTR1D
SCHEMBL4508139 0.86 HTR1F (0.53) HTR1FHTR1AHTR1DHTR1BUBE2M
SCHEMBL4510216 0.86 HTR1F (0.53) HTR1FHTR1AHTR1DHTR1BUBE2M
SCHEMBL10259591 0.85 RAB9A (0.48) HTR1FHTR1D
Hydrochloric Acid SCHEMBL4509020 0.84 RAB9A (0.47) HTR1FHTR1D
SCHEMBL10260508 0.84 HTR1F (0.56) HTR1FHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4509012 0.83 RAB9A (0.46) HTR1FHTR1D

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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