SCHEMBL4825967

SCHEMBL4825967

CCc1cccc(CC)c1-c1cc(CNS(C)(=O)=O)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CD44 P16070 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
C5AR1 P21730 2/20 0.39
GHSR Q92847 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.37
HTR7 P34969 3/20 0.37
MAPK1 P28482 2/20 0.37
PIK3CD O00329 1/20 0.36
SPR P35270 1/20 0.36
POLB P06746 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL2141626 0.90 LMNA (0.39) LMNACD44KDM4EGAAHTT
SCHEMBL1327766 0.90 LMNA (0.39) LMNACD44KDM4EGAAHTT
SCHEMBL2140419 0.88 LMNA (0.38) LMNACD44KDM4EGAAHTT
SCHEMBL4417669 0.87 C5AR1 (0.42) LMNACD44KDM4EGAAHTT
SCHEMBL1329134 0.85 LMNA (0.44) LMNACD44KDM4EGAAHTT
SCHEMBL1329650 0.83 LMNA (0.46) LMNACD44KDM4EGAAHTT
SCHEMBL1329410 0.80 C5AR1 (0.54) LMNAKDM4EHTTMAPTKMT2A
SCHEMBL1328064 0.80 CYP2A13 (0.39) LMNAKDM4EGAAHTTC5AR1
SCHEMBL2142672 0.79 C5AR1 (0.34) KMT2AC5AR1
SCHEMBL2142684 0.79 C5AR1 (0.37) KDM4EMAPTC5AR1ALDH1A1

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-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed