SCHEMBL14224889

SCHEMBL14224889

CC(C)(c1cccc(-c2cccc(C#N)c2)n1)c1cccc(-n2cccn2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.57
GRM2 Q14416 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14224770 0.83 CTSS (0.48) GRM5GRM2
SCHEMBL18216841 0.71 ALDH1A1 (0.46) GRM5
SCHEMBL14224868 0.70 GABRG2 (0.42) GRM2
SCHEMBL28515775 0.69 HCRTR1 (0.45)
SCHEMBL12877182 0.68 ALDH1A1 (0.58) GRM5HSD17B10
SCHEMBL2952613 0.68 GRM5 (0.48) GRM5
SCHEMBL14198209 0.68 GRM5 (0.39) GRM5GRM2
SCHEMBL27009351 0.66 GRM5 (0.53) GRM5GRM2CYP1A2CYP3A4ALOX15
SCHEMBL4702337 0.66 GRM5 (0.55) GRM5
SCHEMBL3266995 0.66 IDO1 (0.51) GRM5

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
US-20080079358-A1 Organic electroluminescent element FUJIFILM CORPORATION 2008-04-03 US disclosed