SCHEMBL27680931

SCHEMBL27680931

NC1(c2ccccc2)C=CC(N)(c2ccccc2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
MAOB P27338 11/20 0.41
MAOA P21397 10/20 0.41
KDM1A O60341 5/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL28740433 1.00 PNMT (0.44) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL4072354 0.84 PNMT (0.38) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL28752679 0.73 PNMT (0.31) PNMT
SCHEMBL18239154 0.71 PNMT (0.33) PNMTMAOBMAOAKDM1A
SCHEMBL7551055 0.69 PNMT (0.39) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL23857896 0.67 PNMT (0.43) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL2405229 0.67 MEN1 (0.40) MAOBMAOA
SCHEMBL6152348 0.67 OPRM1 (0.38) PNMTMAOBMAOATAAR1
SCHEMBL15857507 0.67 MAOB (0.42) PNMTMAOBMAOAKDM1ATAAR1
SCHEMBL57461 0.67 PNMT (0.54) PNMTMAOBMAOATAAR1

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
CN-101018760-A Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU PETROCHEMICAL CO (JP) 2007-08-15 CN disclosed