SCHEMBL19904534

SCHEMBL19904534

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCC1)[C@@H]1CCN(c2ccc3ccccc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 12/20 0.43
HTR1A P08908 1/20 0.40
NOTUM Q6P988 1/20 0.37
CAPN1 P07384 1/20 0.36
TPSAB1 Q15661 1/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
CHRM4 P08173 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL19904559 0.94 UGCG (0.42) UGCGHTR1ANOTUMCAPN1TPSAB1
SCHEMBL19904669 0.92 UGCG (0.45) UGCG
SCHEMBL24503292 0.91 UGCG (0.45) UGCG
SCHEMBL19904565 0.90 HTR1A (0.44) UGCGHTR1ANOTUMCHRM4EPHX2
SCHEMBL19904680 0.90 UGCG (0.42) UGCGHTR1ANOTUM
SCHEMBL19904316 0.88 UGCG (0.43) UGCGHTR1ANOTUM
SCHEMBL19904428 0.88 UGCG (0.43) UGCGHTR1ANOTUM
SCHEMBL19904478 0.87 UGCG (0.43) UGCGHTR1ANOTUM
SCHEMBL18101717 0.87 UGCG (0.44) UGCG
SCHEMBL18101716 0.87 UGCG (0.44) 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