SCHEMBL19904559

SCHEMBL19904559

O=C(NC(Cc1ccc(OC2CCOCC2)c(Cl)c1)CN1CCCC1)[C@@H]1CCN(c2ccc3ccccc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 11/20 0.42
HTR1A P08908 1/20 0.38
TACR2 P21452 3/20 0.36
TPSAB1 Q15661 1/20 0.36
P2RX3 P56373 1/20 0.36
CAPN1 P07384 2/20 0.36
NOTUM Q6P988 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
SCHEMBL19904534 0.94 UGCG (0.43) UGCGHTR1ATPSAB1CAPN1NOTUM
SCHEMBL18101716 0.93 UGCG (0.44) UGCGP2RX3
SCHEMBL18101717 0.93 UGCG (0.44) UGCGP2RX3
SCHEMBL19904655 0.91 UGCG (0.42) UGCGHTR1AP2RX3NOTUM
SCHEMBL19904661 0.89 UGCG (0.38) UGCGHTR1ATACR2P2RX3
SCHEMBL19904565 0.89 HTR1A (0.44) UGCGHTR1ANOTUM
SCHEMBL24503292 0.88 UGCG (0.45) UGCG
SCHEMBL18094878 0.88 UGCG (0.55) UGCG
SCHEMBL29605330 0.88 UGCG (0.55) UGCG
SCHEMBL16695484 0.88 UGCG (0.55) UGCG

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