SCHEMBL4563122

SCHEMBL4563122

COc1ccccc1-c1cccn2cc(C3CCCN3C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HCRTR1 O43613 11/20 0.40
HCRTR2 O43614 11/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH1A3 P47895 1/20 0.39
GCK P35557 1/20 0.39
FFAR2 O15552 2/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL14144749 0.91 HCRTR1 (0.45) SCD5HCRTR1HCRTR2ROCK2
SCHEMBL342123 0.87 ALDH1A1 (0.45) DAGLAALDH1A1
SCHEMBL343089 0.87 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A2ALDH1A1ALDH1A3
SCHEMBL342144 0.85 ALDH1A3 (0.50) SCD5TRPV1HCRTR1HCRTR2ALDH1A2
SCHEMBL342337 0.85 ALDH1A3 (0.40) TRPV1HCRTR1HCRTR2ALDH1A2ALDH1A1
SCHEMBL342552 0.84 PREP (0.43) TRPV1HCRTR1HCRTR2ALDH1A2ALDH1A1
SCHEMBL14144748 0.78 HCRTR1 (0.46) HCRTR1HCRTR2ALDH1A2ALDH1A1ALDH1A3
SCHEMBL10184773 0.78 XIAP (0.41)
SCHEMBL14144746 0.76 ALDH1A3 (0.47) SCD5HCRTR1HCRTR2ALDH1A2ALDH1A1
SCHEMBL14144716 0.76 GRM5 (0.40) HCRTR1HCRTR2ALDH1A3ROCK2

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
EP-2125809-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2009-12-02 EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 WO disclosed