SCHEMBL12296177

SCHEMBL12296177

O=C1CNC(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRM7 Q14831 2/20 0.35
DAO P14920 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 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
SCHEMBL10326377 0.80 UGT2B7 (0.41) MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL10326291 0.78 PNMT (0.62) PNMTGRM7
SCHEMBL10327325 0.78 PNMT (0.62) PNMTGRM7
SCHEMBL10326622 0.78 PNMT (0.62) PNMTGRM7
SCHEMBL12300550 0.71
SCHEMBL6203587 0.70 ALDH1A1 (0.41) ALDH1A1GRM7DAOALOX5GAA
SCHEMBL18796246 0.70 KMT2A (0.43) ALDH1A1DAOALOX5MAPTKMT2A
Hydrochloric Acid SCHEMBL18796386 0.69 KMT2A (0.43) ALDH1A1DAOALOX5MAPTKMT2A
SCHEMBL12996875 0.69 PTGS2 (0.35) PNMT
SCHEMBL6540248 0.68 DAO (0.36) ALDH1A1DAOALOX5SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011108672-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2011-09-09 WO disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed