SCHEMBL3950819

SCHEMBL3950819

COc1ccc(CC2=C(F)CCC(N3CCCC3=O)C2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PDCD1LG2 Q9BQ51 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
P2RX7 Q99572 3/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
MMP13 P45452 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL4025390 0.78 OPRM1 (0.37) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL3945116 0.71 SIGMAR1 (0.36) PDCD1LG2CD274HCRTR1HCRTR2MMP13
SCHEMBL2204952 0.68 OPRM1 (0.42) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL5503363 0.67 MMP13 (0.36) PDCD1LG2CD274MMP13HTR2CHTR2B
SCHEMBL4024429 0.67 OPRL1 (0.35) PDCD1LG2CD274MMP13HTR2CHTR2B
SCHEMBL4517793 0.66 HSD11B1 (0.52) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL5503919 0.66 HTR1A (0.37) OPRM1OPRD1OPRK1PDCD1LG2CD274
SCHEMBL474803 0.66 OPRM1 (0.39) OPRM1OPRD1OPRK1HTR1ASLC6A4
SCHEMBL5506443 0.65 DPP4 (0.35) OPRM1PDCD1LG2CD274P2RX7ALDH1A1
SCHEMBL5500218 0.65 MMP13 (0.38) PDCD1LG2CD274MMP13HTR2CHTR2B

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-2049475-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-04-22 EP disclosed
WO-2007127704-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed