SCHEMBL13675116

SCHEMBL13675116

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 8/20 0.48
▸ HTR1D P28221 2/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ WDR5 P61964 10/20 0.42
▸ SORT1 Q99523 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40

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
SCHEMBL10260101 0.89 HTR1F (0.61) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL12020972 0.83 HTR1F (0.51) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4496011 0.83 WDR5 (0.46) HTR1FWDR5HTR1AHTR1B
SCHEMBL30908924 0.83 HTR1F (0.70) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2539234 0.83 HTR1F (0.70) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL13675124 0.82 HTR1F (0.46) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2537296 0.82 HTR1F (0.68) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4515858 0.82 HTR1F (0.46) HTR1FHTR1DWDR5HTR1AHTR1B
SCHEMBL12878407 0.81 HTR1F (0.48) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4509643 0.81 HTR1F (0.48) HTR1FHTR1DCHRM5DRD5HTR1E

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-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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