SCHEMBL7006839

SCHEMBL7006839

CC(=O)c1cc(Br)cc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
RORC P51449 8/20 0.44
ROCK2 O75116 2/20 0.40
CHRNA7 P36544 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 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
Hydrochloric Acid SCHEMBL7016225 0.99 CNR1 (0.44) CNR1CNR2RORCROCK2CHRNA7
SCHEMBL7011238 0.89 RORC (0.54) CNR1CNR2RORCROCK2CHRNA7
Hydrochloric Acid SCHEMBL7014509 0.88 RORC (0.54) CNR1CNR2RORCROCK2CHRNA7
SCHEMBL7008140 0.85 RORC (0.45) CNR1CNR2RORCROCK2
Hydrochloric Acid SCHEMBL7013467 0.84 RORC (0.45) CNR1CNR2RORCROCK2
SCHEMBL7014262 0.82 RORC (0.45) CNR1CNR2RORCROCK2L3MBTL3
SCHEMBL7010997 0.82 RORC (0.45) CNR1CNR2RORCROCK2L3MBTL3
SCHEMBL7007596 0.82 RORC (0.46) CNR1CNR2RORCROCK2
Hydrochloric Acid SCHEMBL7009408 0.82 RORC (0.44) CNR1CNR2RORCROCK2L3MBTL3
Hydrochloric Acid SCHEMBL7847628 0.81 RORC (0.45) CNR1CNR2RORCROCK2

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-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed