SCHEMBL18948136

SCHEMBL18948136

CCCCC(CCC)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
FDPS P14324 1/20 0.42
PTPRA P18433 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.38
HRH1 P35367 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL28265189 0.97 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23844725 0.94 KCNH2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18647910 0.94 KCNH2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21077970 0.93 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19732279 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21770640 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8523869 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29058174 0.90 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9847091 0.87 FDPS (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13381692 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed