SCHEMBL5502844

SCHEMBL5502844

O=C1CCCN1C1CCCC(Cc2ccc(-c3cccnc3Cl)cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.35
LTA4H P09960 4/20 0.34
ALOX5AP P20292 1/20 0.34
HTR5A P47898 2/20 0.33
P2RX7 Q99572 1/20 0.33
METAP2 P50579 1/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SYK P43405 1/20 0.32
CTSS P25774 1/20 0.32
KCNH2 Q12809 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ACP1 P24666 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL5506529 0.92 PDCD1LG2 (0.34) PDCD1LG2CD274OPRK1OPRM1LTA4H
SCHEMBL5499704 0.90 CD274 (0.43) PDCD1LG2CD274LTA4HMETAP2HCRTR1
SCHEMBL5503778 0.90 CTSS (0.35) PDCD1LG2CD274LTA4HHTR5ASYK
SCHEMBL5499996 0.85 CNR1 (0.38) HCRTR1HCRTR2
SCHEMBL5504552 0.85 NPY5R (0.34) PDCD1LG2CD274P2RX7SYKCTSS
SCHEMBL5506180 0.85 AAK1 (0.34) PDCD1LG2CD274P2RX7METAP2CTSS
SCHEMBL5504232 0.84 CTSS (0.36) PDCD1LG2CD274P2RX7CNR2CTSS
Hydrochloric Acid SCHEMBL5504549 0.84 CNR1 (0.38) HCRTR1HCRTR2
SCHEMBL5506470 0.84 NPY5R (0.40) PDCD1LG2CD274LTA4HP2RX7CNR2
Hydrochloric Acid SCHEMBL5499646 0.84 AAK1 (0.33) PDCD1LG2CD274P2RX7METAP2CTSS

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