SCHEMBL22563353

SCHEMBL22563353

O=C(Nc1cc(Cl)cc(NOc2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
MAPK14 Q16539 1/20 0.46
SMO Q99835 1/20 0.46
MCHR1 Q99705 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL19933547 0.90 TRPV1 (0.63) TRPV1KCNK3KCNK9MCHR1PTPN2
SCHEMBL18573396 0.83 TRPV1 (0.71) TRPV1KCNK3KCNK9MCHR1PTPN2
SCHEMBL14082212 0.80 NPC1 (0.68) TRPV1KCNK3KCNK9
SCHEMBL14313610 0.79 TRPV1 (0.72) TRPV1PTPN2PTPN1ADORA3
SCHEMBL19933630 0.78 TRPV1 (0.63) TRPV1PTPN2PTPN1
SCHEMBL14082180 0.76 TRPV1 (0.75) TRPV1KCNK3KCNK9MCHR1PTPN2
SCHEMBL14082276 0.76 TRPV1 (0.60) TRPV1KCNK3KCNK9MCHR1PTPN2
SCHEMBL14082185 0.76 TRPV1 (0.71) TRPV1ADORA3
SCHEMBL14082286 0.74 TRPV1 (0.65) TRPV1MCHR1PTPN2PTPN1
SCHEMBL14082220 0.74 NPC1 (0.61) TRPV1

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-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed