SCHEMBL19904473

SCHEMBL19904473

O=C(NC(Cc1ccc(OC2CC2)cc1)CN1CCC1)[C@@H]1CCN(c2ccc3cc(F)ccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.42
ACACB O00763 14/20 0.40
FFAR4 Q5NUL3 2/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL19904617 1.00 UGCG (0.42) UGCGACACBFFAR4HRH1CCR3
SCHEMBL19904520 0.98 UGCG (0.42) UGCGACACBFFAR4HRH1CCR3
SCHEMBL19904572 0.91 FFAR4 (0.47) ACACBFFAR4HRH1CCR3
SCHEMBL19904669 0.90 UGCG (0.45) UGCGHRH1CCR3
SCHEMBL24503292 0.88 UGCG (0.45) UGCGHRH1CCR3
SCHEMBL19904361 0.87 ACACB (0.38) ACACB
SCHEMBL19904613 0.85 ACACB (0.38) ACACB
SCHEMBL16695601 0.85 UGCG (0.57) UGCGACACB
SCHEMBL16695600 0.85 UGCG (0.57) UGCGACACB
SCHEMBL29604922 0.85 UGCG (0.57) UGCGACACB

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