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SCHEMBL19904554

SCHEMBL19904554

CN1CCC(Oc2ccc(CC(CN3CCCC3)NC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ UGCG Q16739 10/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ P2RX3 P56373 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
SCHEMBL19904637 1.00 UTS2R (0.40) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904316 0.94 UGCG (0.43) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904428 0.94 UGCG (0.43) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904504 0.94 UGCG (0.41) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904478 0.94 UGCG (0.43) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904697 0.94 UGCG (0.41) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904680 0.93 UGCG (0.42) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904655 0.92 UGCG (0.42) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904581 0.90 UGCG (0.40) UTS2RACACBUGCGCCR1HRH1
SCHEMBL19904704 0.90 P2RX3 (0.40) UGCGCCR3NOTUMHTR1AP2RX3

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