SCHEMBL7010503

SCHEMBL7010503

CCOc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.48
ROCK2 O75116 2/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NR4A1 P22736 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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 SCHEMBL7006833 0.99 RORC (0.47) RORCROCK2TP53THRBMAPT
SCHEMBL7007350 0.91 RORC (0.50) RORCROCK2
Hydrochloric Acid SCHEMBL7015384 0.90 RORC (0.49) RORCROCK2
SCHEMBL7009661 0.89 RORC (0.49) RORCROCK2
Hydrochloric Acid SCHEMBL7007842 0.88 RORC (0.48) RORCROCK2
SCHEMBL7009997 0.88 MEN1 (0.52) RORCROCK2TP53MAPTALOX15
SCHEMBL7008578 0.87 MAPT (0.56) RORCTP53MAPTALOX15ALOX12
SCHEMBL7009130 0.87 KCNQ3 (0.50) RORCTP53MAPTALOX15ALOX12
SCHEMBL7013968 0.87 TP53 (0.51) RORCTP53MAPTALOX15ALOX12
Hydrochloric Acid SCHEMBL7016934 0.87 MEN1 (0.51) RORCROCK2TP53MAPTALOX15

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