SCHEMBL5500612

SCHEMBL5500612

O=C1CCCCN1C1CCC(O)C(Cc2ccc(-c3ccncc3)cc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.36
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CDC7 O00311 1/20 0.33
CDK9 P50750 1/20 0.33
P2RX7 Q99572 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CTSS P25774 2/20 0.32
F10 P00742 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
USP7 Q93009 2/20 0.31
CCR5 P51681 1/20 0.31
MCHR1 Q99705 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
SCHEMBL5502995 0.89 NPY5R (0.38) NPY5RP2RX7HCRTR1HCRTR2CCR5
SCHEMBL5503929 0.88 CTSS (0.36) NPY5RDPP4DPP8DPP9P2RX7
SCHEMBL5499959 0.86 CYP11B1 (0.38) NPY5RP2RX7HCRTR1HCRTR2
SCHEMBL5501184 0.86 NPY5R (0.35) NPY5RHSD11B1DPP4DPP8DPP9
SCHEMBL5500031 0.82 P2RX7 (0.44) DPP4DPP8DPP9P2RX7F10
SCHEMBL5506180 0.81 AAK1 (0.34) NPY5RHSD11B1DPP4DPP8DPP9
SCHEMBL5500067 0.81 KMT2A (0.36) DPP4DPP8DPP9P2RX7F10
Hydrochloric Acid SCHEMBL5499646 0.80 AAK1 (0.33) NPY5RHSD11B1DPP4DPP8DPP9
SCHEMBL5506323 0.78 DPP4 (0.40) NPY5RDPP4DPP8DPP9P2RX7
SCHEMBL5504727 0.77 NPY5R (0.37) NPY5RHCRTR1HCRTR2

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed