SCHEMBL27878411

SCHEMBL27878411

NCC(COc1cccc2c1Cc1ccccc1-2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
GABBR2 O75899 2/20 0.35
GABBR1 Q9UBS5 2/20 0.35
SCN4A P35499 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 1/20 0.34
NR2E1 Q9Y466 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TLR4 O00206 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
IDO1 P14902 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL27878314 0.90 PNMT (0.43) PNMTSCN4AHTR2AHTR2CHTR7
SCHEMBL27895179 0.87 PNMT (0.43) PNMTGABBR2GABBR1HTR2AHTR2C
SCHEMBL27895284 0.84 SCN4A (0.52) PNMTSCN4AHTR2AHTR2CHTR7
SCHEMBL27878312 0.84 PNMT (0.43) PNMTHTR2AHTR2CHTR7HTR2B
SCHEMBL28799221 0.83 PNMT (0.42) PNMTHTR2AHTR2CNR2E1HTR7
SCHEMBL27878357 0.80 PNMT (0.43) PNMTHTR2AHTR2CNR2E1HTR7
SCHEMBL27895167 0.77 PNMT (0.41) PNMTHTR2ANR2E1HTR7HTR2B
SCHEMBL5749931 0.76 PNMT (0.54) PNMTHTR2AHTR7HTR2BDRD2
SCHEMBL28007582 0.76 PNMT (0.44) PNMTSCN4AHTR2AHTR2CHTR7
SCHEMBL5748197 0.75 PNMT (0.53) PNMTHTR2AHTR7HTR2BDRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770408-B Novel diamine compound and production method thereof NITTO DENKO CORP 2015-05-13 CN disclosed
CN-103459466-A Polyimide, polyimide polymer electrolyte membrane, membrane-electrode assembly, and solid polymer fuel cell NITTO DENKO CORP 2013-12-18 CN disclosed
CN-102770408-A Novel diamine compound and production method thereof NITTO DENKO CORP 2012-11-07 CN disclosed