SCHEMBL5501522

SCHEMBL5501522

Cc1ccncc1-c1ccc(CC2CCCC(N3CCCC3=O)C2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
ABL1 P00519 7/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN9A Q15858 1/20 0.33
BTK Q06187 1/20 0.33
MAP4K1 Q92918 3/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 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
SCHEMBL5506180 0.86 AAK1 (0.34) PDCD1LG2CD274
Hydrochloric Acid SCHEMBL5499646 0.85 AAK1 (0.33) PDCD1LG2CD274
SCHEMBL5499996 0.85 CNR1 (0.38) CYP11B2CYP11B1JAK2
Hydrochloric Acid SCHEMBL5504549 0.84 CNR1 (0.38) CYP11B2CYP11B1JAK2
SCHEMBL5503224 0.84 CTSS (0.35) BTKJAK2JAK1JAK3
SCHEMBL5506352 0.83 BTK (0.32) BTKPDCD1LG2CD274JAK2JAK1
SCHEMBL5506141 0.83 CD38 (0.35) PDCD1LG2CD274JAK2JAK1JAK3
SCHEMBL5499853 0.83 SCN9A (0.37) SCN9APDCD1LG2CD274JAK1
SCHEMBL5509832 0.83 NPY5R (0.41) CYP11B2PDCD1LG2CD274JAK2JAK1
SCHEMBL5502844 0.83 PDCD1LG2 (0.35) PDCD1LG2CD274

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