SCHEMBL5326015

SCHEMBL5326015

CC(CN)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
TAAR1 Q96RJ0 2/20 0.58
MAOB P27338 2/20 0.57
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 1/20 0.56
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
LTA4H P09960 1/20 0.50

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
Hydrochloric Acid SCHEMBL5878046 0.98 MAOB (0.60) BCHETAAR1MAOBGAAMAPT
SCHEMBL17615822 0.90 ALOX5 (0.51) BCHETAAR1MAOBGAAMAPT
SCHEMBL10875504 0.87 ALOX5 (0.57) BCHEMAOBGAAMAPTMAOA
SCHEMBL10877817 0.87 ALOX5 (0.57) BCHEMAOBGAAMAPTMAOA
SCHEMBL17602075 0.87 MAPT (0.64) BCHEMAOBGAAMAPTRAB9A
SCHEMBL28572476 0.85 BCHE (0.60) BCHEMAOBGAAMAPTMAOA
SCHEMBL10053088 0.85 BCHE (0.60) BCHEMAOBGAAMAPTMAOA
SCHEMBL20429143 0.84 NPC1 (0.58) TAAR1RAB9ALTA4H
SCHEMBL11212210 0.83 BCHE (0.58) BCHEMAOBGAAMAPTMAOA
SCHEMBL8440300 0.83 BCHE (0.58) BCHEMAOBGAAMAPTMAOA

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-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed