SCHEMBL19904428

SCHEMBL19904428

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 11/20 0.43
NOTUM Q6P988 1/20 0.41
CCR1 P32246 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
HTR1A P08908 1/20 0.39
FFAR1 O14842 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ACACB O00763 1/20 0.37
P2RX3 P56373 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
SCHEMBL19904316 1.00 UGCG (0.43) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904478 0.99 UGCG (0.43) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904680 0.98 UGCG (0.42) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904697 0.97 UGCG (0.41) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904504 0.97 UGCG (0.41) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904655 0.96 UGCG (0.42) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904554 0.94 UTS2R (0.40) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904637 0.94 UTS2R (0.40) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904581 0.94 UGCG (0.40) UGCGNOTUMCCR1HRH1CCR3
SCHEMBL19904704 0.94 P2RX3 (0.40) UGCGNOTUMCCR3HTR1AP2RX3

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