SCHEMBL7010907

SCHEMBL7010907

CC(C)c1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.50
ROCK2 O75116 6/20 0.47
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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 SCHEMBL7014597 0.99 RORC (0.49) RORCROCK2CNR1CNR2
SCHEMBL7009661 0.88 RORC (0.49) RORCROCK2
Hydrochloric Acid SCHEMBL7007842 0.87 RORC (0.48) RORCROCK2
SCHEMBL7012579 0.86 RORC (0.46) RORCROCK2CNR1CNR2
SCHEMBL7007672 0.86 RORC (0.40) RORCROCK2
SCHEMBL7007350 0.86 RORC (0.50) RORCROCK2
Hydrochloric Acid SCHEMBL7016514 0.85 RORC (0.46) RORCROCK2CNR1CNR2
SCHEMBL7010503 0.85 RORC (0.48) RORCROCK2
Hydrochloric Acid SCHEMBL7015384 0.85 RORC (0.49) RORCROCK2
Hydrochloric Acid SCHEMBL7006833 0.84 RORC (0.47) RORCROCK2

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 4 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
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