SCHEMBL7010997

SCHEMBL7010997

CCc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.45
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ROCK2 O75116 2/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 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
SCHEMBL7014262 0.89 RORC (0.45) RORCL3MBTL3L3MBTL1CNR1CNR2
Hydrochloric Acid SCHEMBL7009408 0.88 RORC (0.44) RORCL3MBTL3L3MBTL1CNR1CNR2
SCHEMBL7008578 0.87 MAPT (0.56) RORCL3MBTL1
SCHEMBL7008140 0.85 RORC (0.45) RORCCNR1CNR2ROCK2HTR1D
Hydrochloric Acid SCHEMBL7013467 0.85 RORC (0.45) RORCCNR1CNR2ROCK2HTR1D
SCHEMBL7012423 0.84 MAPT (0.55) RORCL3MBTL1
SCHEMBL7013917 0.84 MEN1 (0.45) RORCCNR1CNR2ROCK2HTR1D
SCHEMBL7006839 0.82 CNR1 (0.45) RORCL3MBTL3L3MBTL1CNR1CNR2
SCHEMBL7990114 0.82 MAPT (0.46) L3MBTL3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL7016225 0.82 CNR1 (0.44) RORCL3MBTL3L3MBTL1CNR1CNR2

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