SCHEMBL5503778

SCHEMBL5503778

O=C1CCCN1C1CCCC(Cc2ccc(-c3ncccn3)cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
LTA4H P09960 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SYK P43405 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CCR5 P51681 1/20 0.33
HTR5A P47898 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NPY5R Q15761 1/20 0.33
CHRM2 P08172 1/20 0.33
GHSR Q92847 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 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
SCHEMBL5502844 0.90 PDCD1LG2 (0.35) CTSSLTA4HDPP4DPP8DPP9
SCHEMBL5504552 0.87 NPY5R (0.34) CTSSDPP4DPP8DPP9SYK
SCHEMBL5506529 0.87 PDCD1LG2 (0.34) CTSSLTA4HSYKPDCD1LG2CD274
SCHEMBL5506180 0.87 AAK1 (0.34) CTSSDPP4DPP8DPP9PDCD1LG2
SCHEMBL5504232 0.87 CTSS (0.36) CTSSDPP4DPP8DPP9PDCD1LG2
Hydrochloric Acid SCHEMBL5499646 0.86 AAK1 (0.33) CTSSDPP4DPP8DPP9PDCD1LG2
SCHEMBL5506470 0.86 NPY5R (0.40) LTA4HPDCD1LG2CD274NPY5R
SCHEMBL5499996 0.86 CNR1 (0.38) CCR5HCRTR1HCRTR2JAK2
Hydrochloric Acid SCHEMBL5504549 0.85 CNR1 (0.38) CCR5HCRTR1HCRTR2JAK2
SCHEMBL5503224 0.85 CTSS (0.35) CTSSSYKHCRTR1HCRTR2NPY5R

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 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