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Sugi Predict / Compounds / SCHEMBL19904581

SCHEMBL19904581

SCHEMBL19904581

O=C(NC(Cc1ccc(OC2COC2)c(Cl)c1)CN1CCCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 8/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ NOTUM Q6P988 2/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ P2RX3 P56373 2/20 0.37
▸ HRH1 P35367 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.36
▸ ACACB O00763 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
SCHEMBL19904655 0.94 UGCG (0.42) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904428 0.94 UGCG (0.43) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904316 0.94 UGCG (0.43) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904504 0.93 UGCG (0.41) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904478 0.93 UGCG (0.43) UGCGCCR1NOTUMHTR1AHRH1
SCHEMBL19904697 0.93 UGCG (0.41) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904680 0.92 UGCG (0.42) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904554 0.90 UTS2R (0.40) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904637 0.90 UTS2R (0.40) UGCGCCR1NOTUMHTR1AP2RX3
SCHEMBL19904446 0.88 UGCG (0.42) UGCGNOTUMHRH1CCR3

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