SCHEMBL10260101

SCHEMBL10260101

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3F)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 13/20 0.61
▸ HTR1D P28221 2/20 0.52
▸ CHRM5 P08912 1/20 0.52
▸ DRD5 P21918 1/20 0.52
▸ HTR1E P28566 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ HTR1A P08908 3/20 0.46
▸ HTR1B P28222 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ ACKR3 P25106 1/20 0.44
▸ WNT1 P04628 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GRM5 P41594 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
SCHEMBL13675116 0.89 HTR1F (0.48) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL13675124 0.87 HTR1F (0.46) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL10267342 0.83 HTR1F (0.53) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL1198119 0.82 HTR1F (0.64) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL10259696 0.82 HTR1F (0.55) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908910 0.82 HTR1F (0.77) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537931 0.82 HTR1F (0.77) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2539518 0.81 HTR1F (0.76) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL4517381 0.81 HTR1F (0.55) HTR1FHTR1DHTR1AHTR1BHTR2A
SCHEMBL13675117 0.81 NPC1 (0.46) 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 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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