SCHEMBL4030746

SCHEMBL4030746

O=C1CCCN1C1CCc2c(n[nH]c2Cc2ccc(Br)cc2Cl)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 1/20 0.32
KDM5A P29375 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
EPHX2 P34913 1/20 0.30
OPRM1 P35372 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
SCHEMBL4025809 0.93 L3MBTL1 (0.33) KMT2AL3MBTL1OPRL1KDM5APDCD1LG2
SCHEMBL4025390 0.79 OPRM1 (0.37) OPRL1KDM5APDCD1LG2CD274OPRM1
SCHEMBL5506443 0.75 DPP4 (0.35) KMT2AL3MBTL1PDCD1LG2CD274DPP4
SCHEMBL4028519 0.73 PDE5A (0.38) KMT2AKDM5A
SCHEMBL4023855 0.72 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4031855 0.72 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4025157 0.72 KDM5A (0.34) OPRL1KDM5A
SCHEMBL4024429 0.70 OPRL1 (0.35) OPRL1KDM5APDCD1LG2CD274
SCHEMBL4030735 0.70 NPY5R (0.35) OPRL1KDM5A
SCHEMBL4029262 0.70 NPY5R (0.35) OPRL1KDM5A

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