SCHEMBL365487

SCHEMBL365487

CC(=O)c1ccc2c(C(=O)N(C)CCN(C)C)c3ccccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 2/20 0.40
PARP1 P09874 4/20 0.40
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL366299 0.89 LMNA (0.38) POLR1APARP1LMNAPRNPCYP1A2
SCHEMBL366185 0.85 CYP1A2 (0.42) LMNAPRNPCYP1A2CHRM2HTR1A
SCHEMBL364304 0.84 CHRM1 (0.38) LMNAPRNPCYP1A2CHRM2HTR1A
SCHEMBL366837 0.82 ALDH1A1 (0.40) LMNAPRNPCYP1A2CHRM2HTR1A
SCHEMBL366238 0.82 CYP1A2 (0.44) POLR1ALMNAPRNPCYP1A2CHRM2
SCHEMBL364861 0.82 EGFR (0.51) POLR1ALMNACYP1A2CYP2D6KCNH2
SCHEMBL364891 0.82 MAPT (0.44) POLR1APARP1LMNACYP1A2ALDH1A1
SCHEMBL365488 0.81 PARP1 (0.41) POLR1APARP1TACR1ALDH1A1HPGD
SCHEMBL367568 0.81 ALDH1A1 (0.44) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL365761 0.81 ALDH1A1 (0.43) POLR1ALMNAPRNPCYP1A2CHRM2

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed