SCHEMBL7007156

SCHEMBL7007156

CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
RORC P51449 3/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TMPRSS2 O15393 1/20 0.41
MAPT P10636 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
SCHEMBL7013917 0.90 MEN1 (0.45) ROCK2RORCCNR1CNR2LMNA
SCHEMBL7009565 0.90 KCNQ3 (0.48) ROCK2RORCCNR1CNR2LMNA
SCHEMBL7010531 0.90 TP53 (0.44) ROCK2RORCCNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7007356 0.89 TP53 (0.43) ROCK2RORCCNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7016604 0.89 KCNQ3 (0.48) ROCK2RORCCNR1CNR2LMNA
SCHEMBL7008605 0.88 RORC (0.42) ROCK2RORCCNR1CNR2LMNA
SCHEMBL7009997 0.88 MEN1 (0.52) ROCK2RORCLMNATP53MAPT
SCHEMBL7009661 0.88 RORC (0.49) ROCK2RORC
Hydrochloric Acid SCHEMBL7008692 0.88 RORC (0.41) ROCK2RORCCNR1CNR2LMNA
Hydrochloric Acid SCHEMBL7016934 0.87 MEN1 (0.51) ROCK2RORCLMNATP53MAPT

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