SCHEMBL19904575

SCHEMBL19904575

CC(C)(C)c1ccc(N2CC[C@@H](C(=O)NC(Cc3ccc(OC4CC4)c(Cl)c3)CN3CCCC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
UGCG Q16739 13/20 0.39
NOTUM Q6P988 2/20 0.37
HTR1A P08908 1/20 0.36
CCR1 P32246 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL19904331 0.92 NOTUM (0.42) UGCGNOTUM
SCHEMBL19904704 0.91 P2RX3 (0.40) UGCGNOTUMHTR1A
SCHEMBL19904316 0.91 UGCG (0.43) ACACBUGCGNOTUMHTR1ACCR1
SCHEMBL19904428 0.91 UGCG (0.43) ACACBUGCGNOTUMHTR1ACCR1
SCHEMBL19904478 0.91 UGCG (0.43) ACACBUGCGNOTUMHTR1ACCR1
SCHEMBL19904682 0.90 UGCG (0.48) UGCGNOTUM
SCHEMBL19904565 0.90 HTR1A (0.44) UGCGNOTUMHTR1A
SCHEMBL19904680 0.90 UGCG (0.42) ACACBUGCGNOTUMHTR1ACCR1
SCHEMBL19904504 0.89 UGCG (0.41) ACACBUGCGNOTUMHTR1ACCR1
SCHEMBL19904697 0.89 UGCG (0.41) ACACBUGCGNOTUMHTR1ACCR1

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