SCHEMBL10259174

SCHEMBL10259174

CN1CCC(Oc2cc(NC(=O)c3c(F)cccc3F)ccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK7 Q13164 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ HTR1F P30939 2/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ SLC5A7 Q9GZV3 1/20 0.44

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 SCHEMBL4517763 0.99 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPK7EGFR
SCHEMBL10260259 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPK7HTR1F
Hydrochloric Acid SCHEMBL4508333 0.95 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPK7HTR1F
SCHEMBL10267808 0.92 HTR1F (0.53) MAPK7HTR1FSLC2A1RORCSLC5A7
Hydrochloric Acid SCHEMBL4509359 0.91 HTR1F (0.52) MAPK7HTR1FSLC2A1RORCSLC5A7
SCHEMBL4492648 0.88 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPK7HTR1F
SCHEMBL10261919 0.84 HTR1F (0.54) RAB9ANPC1MAPK7HTR1F
SCHEMBL10267494 0.83 GRM4 (0.51) RAB9ANPC1SMN1; SMN2SLC2A1GRM4
Hydrochloric Acid SCHEMBL4506091 0.83 HTR1F (0.53) RAB9ANPC1MAPK7HTR1F
SCHEMBL13674973 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HTR1F

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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