SCHEMBL5506529

SCHEMBL5506529

O=C1CCCN1C1CCCC(Cc2ccc(-c3cccnc3O)cc2Cl)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HTR5A P47898 3/20 0.34
P2RX7 Q99572 1/20 0.34
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.33
LTA4H P09960 3/20 0.33
CNR2 P34972 1/20 0.33
SYK P43405 1/20 0.33
CTSS P25774 1/20 0.33
ALOX5AP P20292 1/20 0.33
NPY5R Q15761 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCR3 P51677 1/20 0.32
MCHR1 Q99705 1/20 0.32
KCNH2 Q12809 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5502844 0.92 PDCD1LG2 (0.35) PDCD1LG2CD274HTR5AP2RX7OPRK1
SCHEMBL5499704 0.87 CD274 (0.43) PDCD1LG2CD274LTA4H
SCHEMBL5503778 0.87 CTSS (0.35) PDCD1LG2CD274HTR5ALTA4HSYK
SCHEMBL5499827 0.83 P2RX7 (0.34) P2RX7CTSSNPY5R
SCHEMBL5499996 0.83 CNR1 (0.38) CYP11B1CYP11B2
SCHEMBL5504552 0.83 NPY5R (0.34) PDCD1LG2CD274P2RX7SYKCTSS
SCHEMBL5506180 0.82 AAK1 (0.34) PDCD1LG2CD274P2RX7CTSSNPY5R
SCHEMBL5504232 0.82 CTSS (0.36) PDCD1LG2CD274P2RX7CNR2CTSS
Hydrochloric Acid SCHEMBL5504549 0.82 CNR1 (0.38) CYP11B1CYP11B2
SCHEMBL5506470 0.82 NPY5R (0.40) PDCD1LG2CD274P2RX7LTA4HCNR2

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