SCHEMBL17892263

SCHEMBL17892263

NC1CCCCC1c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.41
KDM1A O60341 10/20 0.38
MAOB P27338 7/20 0.38
KCNH2 Q12809 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
KDM1B Q8NB78 1/20 0.38
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 5/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2C19 P33261 3/20 0.35
CYP2B6 P20813 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4371169 0.96 GRIA4 (0.44) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL4606634 0.96 GRIA4 (0.44) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL4258361 0.79 HTR3A (0.46) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL1646753 0.79 HTR2A (0.44) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL4258364 0.79 HTR3A (0.46) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL13598557 0.79 KDM1A (0.63) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1644778 0.79 HTR3A (0.46) GRIA4KDM1AMAOBKCNH2RCOR1
SCHEMBL12261925 0.78 MAOB (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL10494836 0.78 MAOB (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL445956 0.78 MAOB (0.60) KDM1AMAOBKCNH2RCOR1KDM1B

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