SCHEMBL20064528

SCHEMBL20064528

Cc1cc(OC2CN(C(=O)NC3CN(c4ccnc(Cl)n4)C3)C2)c2ncsc2c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.37
TRPV1 Q8NER1 10/20 0.37
MALT1 Q9UDY8 1/20 0.36
RBP4 P02753 1/20 0.33

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
SCHEMBL21227941 0.90 TRPV1 (0.39) SCN9ATRPV1MALT1
SCHEMBL20065141 0.87 TRPV1 (0.40) SCN9ATRPV1
SCHEMBL20065597 0.85 HRH3 (0.34) MALT1
SCHEMBL21221932 0.84 SCN9A (0.39) SCN9AMALT1RBP4
SCHEMBL20064449 0.80 MALT1 (0.35) SCN9AMALT1
SCHEMBL21222066 0.79 TRPV1 (0.39) SCN9ATRPV1
SCHEMBL21227914 0.78 OXTR (0.35) SCN9ARBP4
SCHEMBL21222185 0.77 TRPV1 (0.36) SCN9ATRPV1MALT1
SCHEMBL21222188 0.77 TRPV1 (0.36) SCN9ATRPV1MALT1
SCHEMBL21227945 0.76 RBP4 (0.40) MALT1RBP4

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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed