SCHEMBL7008140

SCHEMBL7008140

CC(=O)c1cc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
ROCK2 O75116 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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 SCHEMBL7013467 0.99 RORC (0.45) RORCCNR1CNR2HTR1DHTR1B
SCHEMBL7007596 0.89 RORC (0.46) RORCCNR1CNR2ROCK2NPC1
Hydrochloric Acid SCHEMBL7847628 0.88 RORC (0.45) RORCCNR1CNR2ROCK2NPC1
SCHEMBL7007154 0.87 RORC (0.45) RORCCNR1CNR2ROCK2
SCHEMBL7014262 0.87 RORC (0.45) RORCCNR1CNR2ROCK2NPC1
Hydrochloric Acid SCHEMBL7009408 0.87 RORC (0.44) RORCCNR1CNR2ROCK2NPC1
SCHEMBL7012754 0.87 RORC (0.44) RORCCNR1CNR2ROCK2NPC1
SCHEMBL7012579 0.87 RORC (0.46) RORCCNR1CNR2ROCK2NPC1
Hydrochloric Acid SCHEMBL7013981 0.87 RORC (0.44) RORCCNR1CNR2ROCK2
SCHEMBL7011238 0.86 RORC (0.54) RORCCNR1CNR2ROCK2NPC1

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 6 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-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed