SCHEMBL19904529

SCHEMBL19904529

O=C(N[C@@H](Cc1ccc(OC2CC2)c(Cl)c1)CN1CCCC1)C1CCN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 14/20 0.47
CHRM2 P08172 4/20 0.42
CHRM1 P11229 2/20 0.40
UGCG Q16739 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL19904659 1.00 CHRM4 (0.47) CHRM4CHRM2CHRM1UGCGALK
SCHEMBL19904331 0.91 NOTUM (0.42) CHRM4CHRM2UGCG
SCHEMBL19904682 0.90 UGCG (0.48) UGCG
SCHEMBL19904428 0.90 UGCG (0.43) UGCG
SCHEMBL19904316 0.90 UGCG (0.43) UGCG
SCHEMBL19904478 0.89 UGCG (0.43) UGCG
SCHEMBL19904704 0.88 P2RX3 (0.40) UGCG
SCHEMBL19904565 0.88 HTR1A (0.44) CHRM4UGCG
SCHEMBL19904680 0.88 UGCG (0.42) UGCG
SCHEMBL19904575 0.88 ACACB (0.40) 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