SCHEMBL19904572

SCHEMBL19904572

O=C(NC(Cc1ccc(OC2CC2)cc1)CN1CCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.47
ACACB O00763 14/20 0.44
NOTUM Q6P988 1/20 0.43
ADRB2 P07550 1/20 0.42
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL19904520 0.93 UGCG (0.42) FFAR4ACACBADRB2HRH1CCR3
SCHEMBL19904392 0.91 ACACB (0.47) ACACBNOTUMHRH1CCR3
SCHEMBL19904456 0.91 ACACB (0.45) FFAR4ACACBNOTUM
SCHEMBL19904473 0.91 UGCG (0.42) FFAR4ACACBHRH1CCR3
SCHEMBL19904617 0.91 UGCG (0.42) FFAR4ACACBHRH1CCR3
SCHEMBL19904483 0.89 UGCG (0.44) FFAR4ACACBNOTUMHRH1CCR3
SCHEMBL19904682 0.88 UGCG (0.48) FFAR4NOTUMHRH1CCR3
SCHEMBL19904613 0.84 ACACB (0.38) ACACB
SCHEMBL16695649 0.83 UGCG (0.54) ACACB
SCHEMBL18094813 0.83 UGCG (0.54) ACACB

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