SCHEMBL4029262

SCHEMBL4029262

O=C1CCCN1C1CCc2n[nH]c(Cc3c(Cl)cc(-c4ccc(F)cc4)cc3Cl)c2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.35
CTSS P25774 1/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
MCHR1 Q99705 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
OPRL1 P41146 1/20 0.31
RORC P51449 2/20 0.30
KDM5A P29375 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4024067 1.00 NPY5R (0.35) NPY5RCTSSCYP2D6HRH1MCHR1
SCHEMBL4030735 1.00 NPY5R (0.35) NPY5RCTSSCYP2D6HRH1MCHR1
SCHEMBL4024489 0.90 NPY5R (0.35) NPY5RCTSSCYP2D6HRH1MCHR1
SCHEMBL4024182 0.89 LTA4H (0.34) CTSSCYP2D6HRH1MCHR1OPRL1
SCHEMBL4031855 0.85 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4023855 0.85 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4025157 0.85 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4029463 0.84 SPR (0.38) KDM5A
SCHEMBL4024429 0.83 OPRL1 (0.35) HTR2AHTR2COPRL1KDM5AKCNH2
SCHEMBL4029972 0.82 DDR1 (0.33) OPRL1RORC

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