SCHEMBL19904483

SCHEMBL19904483

O=C(NC(Cc1ccc(OC2CC2)c(F)c1)CN1CCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 9/20 0.44
NOTUM Q6P988 1/20 0.41
ACACB O00763 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
GPR6 P46095 6/20 0.37

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
SCHEMBL19904508 0.94 UGCG (0.42) UGCGNOTUMACACBHRH1CCR3
SCHEMBL19904573 0.93 HTR1A (0.40) UGCGNOTUMACACB
SCHEMBL19904682 0.92 UGCG (0.48) UGCGNOTUMFFAR4HRH1CCR3
SCHEMBL19904572 0.89 FFAR4 (0.47) NOTUMACACBFFAR4HRH1CCR3
SCHEMBL16695270 0.85 UGCG (0.58) UGCG
SCHEMBL16695259 0.85 UGCG (0.58) UGCG
SCHEMBL18094823 0.85 UGCG (0.58) UGCG
SCHEMBL24503292 0.85 UGCG (0.45) UGCGHRH1CCR3
SCHEMBL19904316 0.85 UGCG (0.43) UGCGNOTUMACACBHRH1CCR3
SCHEMBL19904428 0.85 UGCG (0.43) UGCGNOTUMACACBHRH1CCR3

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