SCHEMBL10260508

SCHEMBL10260508

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 8/20 0.56
▸ ACKR3 P25106 1/20 0.48
▸ HPGD P15428 1/20 0.45
▸ WDR5 P61964 1/20 0.44
▸ AVPR2 P30518 2/20 0.44
▸ AVPR1A P37288 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 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
Hydrochloric Acid SCHEMBL4508907 0.99 HTR1F (0.55) HTR1FACKR3HPGDWDR5AVPR2
Hydrochloric Acid SCHEMBL4508902 0.98 HTR1F (0.57) HTR1FACKR3HPGDWDR5AVPR2
SCHEMBL4508139 0.90 HTR1F (0.53) HTR1FACKR3AVPR2RAB9AMAPT
SCHEMBL4510234 0.89 HTR1F (0.55) HTR1FACKR3HPGDWDR5AVPR2
SCHEMBL4515254 0.88 KCNK3 (0.50) ACKR3RAB9AMAPTNPC1ALDH1A1
SCHEMBL4515858 0.86 HTR1F (0.46) HTR1FACKR3WDR5ALDH1A1HTR1A
SCHEMBL10258669 0.84 HTR1F (0.66) HTR1FHTR1AHTR1DHTR1B
SCHEMBL4515354 0.84 HTR1F (0.44) HTR1FACKR3MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL4494274 0.83 HTR1F (0.65) HTR1FHTR1AHTR1DHTR1B
SCHEMBL4506117 0.83 TYK2 (0.48) HTR1FMAPT

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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