SCHEMBL19904682

SCHEMBL19904682

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCCC1)[C@@H]1CCN(c2ccc(F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 13/20 0.48
HRH1 P35367 3/20 0.44
CCR3 P51677 3/20 0.44
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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 0.94 UGCG (0.43) UGCGHRH1CCR3NOTUMUTS2R
SCHEMBL19904316 0.94 UGCG (0.43) UGCGHRH1CCR3NOTUMUTS2R
SCHEMBL24503292 0.93 UGCG (0.45) UGCGHRH1CCR3
SCHEMBL19904478 0.93 UGCG (0.43) UGCGHRH1CCR3NOTUMUTS2R
SCHEMBL19904688 0.93 UGCG (0.47) UGCGHRH1CCR3UTS2R
SCHEMBL18101722 0.92 UGCG (0.43) UGCGHRH1CCR3NOTUMFFAR4
SCHEMBL19904704 0.92 P2RX3 (0.40) UGCGCCR3NOTUM
SCHEMBL19904483 0.92 UGCG (0.44) UGCGHRH1CCR3NOTUMFFAR4
SCHEMBL19904680 0.92 UGCG (0.42) UGCGHRH1CCR3NOTUMUTS2R
SCHEMBL19904565 0.92 HTR1A (0.44) UGCGHRH1CCR3NOTUMUTS2R

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