SCHEMBL4024064

SCHEMBL4024064

O=C1[C@@H](Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCN1[C@@H]1CCc2n[nH]cc2C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HSD11B1 P28845 1/20 0.31

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
SCHEMBL2208721 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL2207854 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL2210471 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL2210272 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL2022283 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL2208729 1.00 ROCK2 (0.38) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL16333628 0.94 ROCK2 (0.34) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL12432264 0.94 ROCK2 (0.34) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL12432306 0.94 ROCK2 (0.34) ROCK2HTR2AHTR2CHSD11B1
SCHEMBL12432345 0.93 ROCK2 (0.33) ROCK2HTR2AHTR2CHSD11B1

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-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed