SCHEMBL19904536

SCHEMBL19904536

NCCCc1ccc(OC2CC2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.64
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RORC P51449 1/20 0.43
PNMT P11086 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
EPHX2 P34913 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
KMO O15229 2/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL19904670 0.79 BACE1 (0.42) CSNK2A1GLASMN1; SMN2TAAR1
SCHEMBL30780976 0.79 GLA (0.51) CSNK2A1GLASMN1; SMN2PNMTTAAR1
SCHEMBL16695091 0.79 CSNK2A1 (0.53) CSNK2A1SIGMAR1UTS2R
SCHEMBL16595899 0.79 CSNK2A1 (0.53) CSNK2A1SIGMAR1
SCHEMBL2369166 0.78 CSNK2A1 (1.00) CSNK2A1RORCKMO
SCHEMBL16695116 0.78 CSNK2A1 (0.52) CSNK2A1SIGMAR1
SCHEMBL6348746 0.78 KDM4E (0.56) CSNK2A1GLASMN1; SMN2PNMTTAAR1
SCHEMBL9845094 0.76 KDM4E (0.53) CSNK2A1GLAPNMTTAAR1
SCHEMBL7324772 0.75 PDE4B (0.55) CSNK2A1
SCHEMBL16695133 0.75 CSNK2A1 (0.56) CSNK2A1SIGMAR1UTS2R

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