SCHEMBL5315686

SCHEMBL5315686

N#Cc1ccccc1-c1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 1/20 0.41
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
SRC P12931 1/20 0.38
SCN9A Q15858 3/20 0.37
MGLL Q99685 1/20 0.36
PDE4B Q07343 1/20 0.36
GAA P10253 1/20 0.36
SCD5 Q86SK9 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PTGS2 P35354 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL5315682 0.95 PRKCA (0.40) PRKCAMMP12NR1I2OXTRAVPR1A
SCHEMBL5198409 0.90 GRIN2B (0.43) PRKCAMMP12NR1I2SRCSCN9A
SCHEMBL5439046 0.90 PRKCA (0.44) PRKCAMMP12NR1I2SRCSCN9A
SCHEMBL5197980 0.89 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9AGAA
SCHEMBL5198351 0.89 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AGAA
SCHEMBL5198064 0.89 SCN7A (0.43) PRKCAMMP12NR1I2SCN9AGRIN2B
SCHEMBL5223713 0.88 PRKCA (0.43) PRKCAMMP12NR1I2OXTRAVPR1A
SCHEMBL5934915 0.87 SCN7A (0.38) PRKCAMMP12NR1I2SCN9AGRIN2B
SCHEMBL5217612 0.85 SCN9A (0.41) PRKCAMMP12NR1I2SRCSCN9A
SCHEMBL5452200 0.85 EGFR (0.43) PRKCAMMP12NR1I2SRCSCN9A

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-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed