SCHEMBL19904565

SCHEMBL19904565

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCCC1)[C@@H]1CCN(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
UGCG Q16739 11/20 0.42
EPHX2 P34913 1/20 0.39
NOTUM Q6P988 2/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
CHRM4 P08173 2/20 0.38
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL19904428 0.93 UGCG (0.43) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904316 0.93 UGCG (0.43) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904478 0.93 UGCG (0.43) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904704 0.92 P2RX3 (0.40) HTR1AUGCGNOTUMCCR3
SCHEMBL19904682 0.92 UGCG (0.48) UGCGNOTUMHRH1CCR3UTS2R
SCHEMBL19904680 0.92 UGCG (0.42) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904697 0.91 UGCG (0.41) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904504 0.91 UGCG (0.41) HTR1AUGCGNOTUMHRH1CCR3
SCHEMBL19904573 0.90 HTR1A (0.40) HTR1AUGCGNOTUMCHRM4
SCHEMBL19904331 0.90 NOTUM (0.42) UGCGNOTUMCHRM4

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