SCHEMBL3941646

SCHEMBL3941646

O=C1CCCN1C1CCC(F)(F)[C@@H](Cc2c(Cl)cc(O)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
F10 P00742 3/20 0.35
OPRL1 P41146 1/20 0.33
NPY5R Q15761 4/20 0.33
RORC P51449 1/20 0.31
KDM5A P29375 1/20 0.31
TACR1 P25103 2/20 0.30
TACR2 P21452 1/20 0.30
TACR3 P29371 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
SCHEMBL3946945 0.85 NPY5R (0.40) DPP4DPP8DPP9F10OPRL1
SCHEMBL3945085 0.81 CYP11B2 (0.38) DPP4DPP8DPP9OPRL1NPY5R
SCHEMBL5504186 0.79 F10 (0.35) DPP4DPP8DPP9F10OPRL1
SCHEMBL4206238 0.78 VNN1 (0.36) F10NPY5R
SCHEMBL4130462 0.78 DPP4 (0.38) DPP4DPP8DPP9F10OPRL1
SCHEMBL4198712 0.78 PDE7B (0.36) DPP4DPP8DPP9NPY5R
SCHEMBL3951914 0.74 RORC (0.36) RORCTACR1
SCHEMBL4197505 0.74 RORC (0.36) RORCTACR1
SCHEMBL5500662 0.69 F10 (0.33) F10
SCHEMBL5500660 0.69 F10 (0.33) F10

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 4 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
EP-2029529-A1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-04 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
WO-2007127693-A1 SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed