SCHEMBL17892175

SCHEMBL17892175

CCOC(=O)C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.54
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
MAOB P27338 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL17892122 0.89 ATM (0.55) SCN5ASCN9AMAOBALDH1A1CYP3A4
SCHEMBL3310151 0.80 ATM (0.56) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL3313145 0.79 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL8913587 0.77 ATM (0.52) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL9308762 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL9040316 0.76 SCN5A (0.67) SCN5ASCN9AMAOBALDH1A1ATM
SCHEMBL2550556 0.76 LMNA (0.68) ALDH1A1MAPK1CYP2C19LMNAHPGD
SCHEMBL20481318 0.75 CHRM2 (0.53) ALDH1A1LMNAMEN1KMT2ACHRM2
SCHEMBL9308521 0.75 MEN1 (0.58) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL2870098 0.74 LMNA (0.71) ALDH1A1MAPK1CYP2C19LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed