SCHEMBL19904573

SCHEMBL19904573

O=C(NC(Cc1ccc(OC2CC2)c(F)c1)CN1CCCC1)[C@@H]1CCN(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
UGCG Q16739 7/20 0.39
CHRM4 P08173 6/20 0.39
CHRM2 P08172 2/20 0.39
ACACB O00763 2/20 0.38
NOTUM Q6P988 1/20 0.38
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL19904483 0.93 UGCG (0.44) UGCGACACBNOTUM
SCHEMBL19904508 0.92 UGCG (0.42) HTR1AUGCGCHRM2ACACBNOTUM
SCHEMBL19904565 0.90 HTR1A (0.44) HTR1AUGCGCHRM4NOTUM
SCHEMBL19904456 0.87 ACACB (0.45) HTR1ACHRM4ACACBNOTUM
SCHEMBL19904682 0.85 UGCG (0.48) UGCGNOTUM
SCHEMBL18094886 0.85 UGCG (0.53) UGCG
SCHEMBL18094888 0.85 UGCG (0.53) UGCG
SCHEMBL29604743 0.85 UGCG (0.53) UGCG
SCHEMBL19904316 0.83 UGCG (0.43) HTR1AUGCGACACBNOTUM
SCHEMBL19904428 0.83 UGCG (0.43) HTR1AUGCGACACBNOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed