SCHEMBL19904508

SCHEMBL19904508

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 9/20 0.42
NOTUM Q6P988 1/20 0.39
P2RX3 P56373 2/20 0.39
ACACB O00763 2/20 0.39
HTR1A P08908 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
CCR1 P32246 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
CHRM2 P08172 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
SCHEMBL19904483 0.94 UGCG (0.44) UGCGNOTUMACACBHRH1CCR3
SCHEMBL19904573 0.92 HTR1A (0.40) UGCGNOTUMACACBHTR1ACHRM2
SCHEMBL19904316 0.92 UGCG (0.43) UGCGNOTUMP2RX3ACACBHTR1A
SCHEMBL19904428 0.92 UGCG (0.43) UGCGNOTUMP2RX3ACACBHTR1A
SCHEMBL19904478 0.91 UGCG (0.43) UGCGNOTUMACACBHTR1AHRH1
SCHEMBL19904680 0.90 UGCG (0.42) UGCGNOTUMP2RX3ACACBHTR1A
SCHEMBL19904697 0.89 UGCG (0.41) UGCGNOTUMP2RX3ACACBHTR1A
SCHEMBL19904504 0.89 UGCG (0.41) UGCGNOTUMP2RX3ACACBHTR1A
SCHEMBL19904682 0.89 UGCG (0.48) UGCGNOTUMHRH1CCR3UTS2R
SCHEMBL19904655 0.88 UGCG (0.42) UGCGNOTUMP2RX3ACACBHTR1A

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