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Sugi Predict / Compounds / SCHEMBL19904478

SCHEMBL19904478

SCHEMBL19904478

O=C(NC(Cc1ccc(OC2CC2)c(Cl)c1)CN1CCCCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 12/20 0.43
▸ NOTUM Q6P988 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ ACACB O00763 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 0.99 UGCG (0.43) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904428 0.99 UGCG (0.43) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904680 0.97 UGCG (0.42) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904697 0.97 UGCG (0.41) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904504 0.97 UGCG (0.41) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904655 0.95 UGCG (0.42) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904554 0.94 UTS2R (0.40) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904637 0.94 UTS2R (0.40) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904581 0.93 UGCG (0.40) UGCGNOTUMHTR1ACCR1HRH1
SCHEMBL19904704 0.93 P2RX3 (0.40) UGCGNOTUMHTR1ACCR3

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