SCHEMBL19904655

SCHEMBL19904655

O=C(NC(Cc1ccc(OC2CCOCC2)c(Cl)c1)CN1CCCC1)C1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 10/20 0.42
P2RX3 P56373 2/20 0.42
CCR1 P32246 1/20 0.40
NOTUM Q6P988 1/20 0.39
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
HTR1A P08908 1/20 0.37
FFAR1 O14842 1/20 0.36
ACACB O00763 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
SCHEMBL19904316 0.96 UGCG (0.43) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904428 0.96 UGCG (0.43) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904697 0.95 UGCG (0.41) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904504 0.95 UGCG (0.41) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904478 0.95 UGCG (0.43) UGCGCCR1NOTUMHRH1CCR3
SCHEMBL19904581 0.94 UGCG (0.40) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904680 0.94 UGCG (0.42) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904554 0.92 UTS2R (0.40) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904637 0.92 UTS2R (0.40) UGCGP2RX3CCR1NOTUMHRH1
SCHEMBL19904559 0.91 UGCG (0.42) UGCGP2RX3NOTUMHTR1A

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