SCHEMBL5506352

SCHEMBL5506352

Cc1ccnc(-c2ccc(CC3CCCC(N4CCCC4=O)C3)c(Cl)c2)c1Br

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.32
JAK2 O60674 4/20 0.32
MAPK1 P28482 2/20 0.32
JAK1 P23458 3/20 0.31
JAK3 P52333 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
KAT8 Q9H7Z6 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
P2RX7 Q99572 1/20 0.30
SYK P43405 2/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL5504552 0.84 NPY5R (0.34) JAK2JAK1JAK3HTR2AHTR2C
SCHEMBL5501522 0.83 CYP11B2 (0.36) BTKJAK2JAK1JAK3PDCD1LG2
SCHEMBL5503778 0.83 CTSS (0.35) JAK2JAK1JAK3HTR2AHTR2C
SCHEMBL5509832 0.82 NPY5R (0.41) JAK2JAK1JAK3PDCD1LG2CD274
SCHEMBL5506180 0.82 AAK1 (0.34) PDCD1LG2CD274P2RX7NPY5R
Hydrochloric Acid SCHEMBL5506013 0.81 NPY5R (0.40) JAK2JAK1JAK3PDCD1LG2CD274
Hydrochloric Acid SCHEMBL5499646 0.81 AAK1 (0.33) PDCD1LG2CD274P2RX7NPY5R
SCHEMBL5506470 0.81 NPY5R (0.40) PDCD1LG2CD274P2RX7NPY5R
SCHEMBL5502844 0.80 PDCD1LG2 (0.35) PDCD1LG2CD274P2RX7SYKNPY5R
SCHEMBL5500736 0.80 KMT2A (0.35) PDCD1LG2CD274P2RX7

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