SCHEMBL19904446

SCHEMBL19904446

O=C(NC(Cc1ccc(OC2COC2)c(Cl)c1)CN1CCC1)[C@@H]1CCN(c2ccc3cc(F)ccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 15/20 0.42
CCR3 P51677 2/20 0.37
HRH1 P35367 1/20 0.37
NOTUM Q6P988 3/20 0.34

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
SCHEMBL19904669 0.94 UGCG (0.45) UGCGCCR3HRH1
SCHEMBL18101716 0.93 UGCG (0.44) UGCGCCR3HRH1
SCHEMBL18101717 0.93 UGCG (0.44) UGCGCCR3HRH1
SCHEMBL24503292 0.93 UGCG (0.45) UGCGCCR3HRH1
SCHEMBL19904581 0.88 UGCG (0.40) UGCGCCR3HRH1NOTUM
SCHEMBL16695639 0.88 UGCG (0.55) UGCG
SCHEMBL18094917 0.88 UGCG (0.55) UGCG
SCHEMBL19904534 0.87 UGCG (0.43) UGCGNOTUM
SCHEMBL16695278 0.86 UGCG (0.55) UGCG
SCHEMBL18094923 0.86 UGCG (0.55) UGCG

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