SCHEMBL19904456

SCHEMBL19904456

O=C(NC(Cc1ccc(OC2CC2)cc1)CN1CCCC1)[C@@H]1CCN(c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.45
HTR1A P08908 1/20 0.45
FFAR4 Q5NUL3 5/20 0.41
NOTUM Q6P988 1/20 0.41
CHRM4 P08173 2/20 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
SCHEMBL19904572 0.91 FFAR4 (0.47) ACACBFFAR4NOTUM
SCHEMBL19904392 0.91 ACACB (0.47) ACACBHTR1ANOTUM
SCHEMBL19904626 0.88 HTR1A (0.48) HTR1ANOTUMCHRM4
SCHEMBL19904573 0.87 HTR1A (0.40) ACACBHTR1ANOTUMCHRM4
SCHEMBL19904565 0.87 HTR1A (0.44) HTR1ANOTUMCHRM4
SCHEMBL19904520 0.86 UGCG (0.42) ACACBFFAR4
SCHEMBL19904617 0.84 UGCG (0.42) ACACBFFAR4
SCHEMBL19904473 0.84 UGCG (0.42) ACACBFFAR4
SCHEMBL19904613 0.84 ACACB (0.38) ACACBHTR1A
SCHEMBL18094818 0.83 UGCG (0.51) 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