SCHEMBL366239

SCHEMBL366239

CC(=O)c1ccc2c(C(=O)CCCCN(C)C)c3ccccc3n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.41
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
KCNH2 Q12809 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
SCHEMBL366186 0.92 ALDH1A1 (0.39) PLA2G2ALMNAPRNPCYP1A2CHRM2
SCHEMBL365469 0.86 PLA2G2A (0.39) PLA2G2AALDH1A1HPGD
SCHEMBL367619 0.86 ALDH1A1 (0.39) PLA2G2ACNR2ALDH1A1HPGD
SCHEMBL366838 0.84 ALDH1A1 (0.41) PLA2G2ACNR2MEN1KMT2AALDH1A1
SCHEMBL364305 0.84 ALDH1A1 (0.36) PLA2G2ACNR2HTR7MEN1KMT2A
SCHEMBL366238 0.82 CYP1A2 (0.44) PLA2G2ALMNAPRNPCYP1A2CHRM2
SCHEMBL365488 0.81 PARP1 (0.41) CNR2HTR7PRKCBPRKCAPRKCH
SCHEMBL366442 0.80 ALDH1A1 (0.42) LMNACYP1A2TSHRCNR2MEN1
SCHEMBL364862 0.80 EGFR (0.56) LMNACYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL366300 0.80 CNR2 (0.38) CNR2PRKCBPRKCAPRKCHPRKCQ

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-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