SCHEMBL19904331

SCHEMBL19904331

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCCC1)C1CCN(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.42
UGCG Q16739 6/20 0.40
CHRM2 P08172 1/20 0.40
PTGES O14684 1/20 0.39
CHRM4 P08173 1/20 0.36

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
SCHEMBL19904575 0.92 ACACB (0.40) NOTUMUGCG
SCHEMBL19904682 0.91 UGCG (0.48) NOTUMUGCG
SCHEMBL19904316 0.91 UGCG (0.43) NOTUMUGCG
SCHEMBL19904428 0.91 UGCG (0.43) NOTUMUGCG
SCHEMBL19904529 0.91 CHRM4 (0.47) UGCGCHRM2CHRM4
SCHEMBL19904659 0.91 CHRM4 (0.47) UGCGCHRM2CHRM4
SCHEMBL19904478 0.91 UGCG (0.43) NOTUMUGCG
SCHEMBL19904704 0.90 P2RX3 (0.40) NOTUMUGCG
SCHEMBL19904565 0.90 HTR1A (0.44) NOTUMUGCGCHRM4
SCHEMBL19904680 0.90 UGCG (0.42) NOTUMUGCG

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