SCHEMBL19904669

SCHEMBL19904669

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCC1)[C@@H]1CCN(c2ccc3cc(F)ccc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 19/20 0.45
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL24503292 0.98 UGCG (0.45) UGCGHRH1CCR3
SCHEMBL19904446 0.94 UGCG (0.42) UGCGHRH1CCR3
SCHEMBL18101716 0.94 UGCG (0.44) UGCGHRH1CCR3
SCHEMBL18101717 0.94 UGCG (0.44) UGCGHRH1CCR3
SCHEMBL19904534 0.92 UGCG (0.43) UGCG
SCHEMBL19904682 0.92 UGCG (0.48) UGCGHRH1CCR3
SCHEMBL19904473 0.90 UGCG (0.42) UGCGHRH1CCR3
SCHEMBL19904617 0.90 UGCG (0.42) UGCGHRH1CCR3
SCHEMBL18101722 0.88 UGCG (0.43) UGCGHRH1CCR3
SCHEMBL19904520 0.88 UGCG (0.42) UGCGHRH1CCR3

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