SCHEMBL18239154

SCHEMBL18239154

CC1=C[C@](N)(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
KDM1A O60341 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4072354 0.73 PNMT (0.38) PNMTMAOAMAOBKDM1A
SCHEMBL28740433 0.71 PNMT (0.44) PNMTMAOAMAOBKDM1A
SCHEMBL27680931 0.71 PNMT (0.44) PNMTMAOAMAOBKDM1A
SCHEMBL27519395 0.68
SCHEMBL28752679 0.64 PNMT (0.31) PNMT
SCHEMBL28209135 0.61 OPRM1 (0.33) OPRM1OPRK1OPRL1
SCHEMBL6037214 0.60 OPRM1 (0.32) OPRM1OPRK1OPRL1
SCHEMBL10319810 0.60 ESR1 (0.31)
SCHEMBL31448394 0.59
SCHEMBL27446364 0.58 PNMT (0.37) PNMTMAOAMAOBKDM1AOPRM1

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-2016182186-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-11-17 WO disclosed