SCHEMBL5504552

SCHEMBL5504552

O=C1CCCN1C1CCCC(Cc2ccc(-c3ccnc(Cl)c3)cc2Cl)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.34
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
CD38 P28907 1/20 0.32
SYK P43405 1/20 0.32
CTSS P25774 1/20 0.32
ACP1 P24666 1/20 0.31
P2RX7 Q99572 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL5506180 0.90 AAK1 (0.34) NPY5RPDCD1LG2CD274CD38CTSS
SCHEMBL5506470 0.89 NPY5R (0.40) NPY5RPDCD1LG2CD274CD38P2RX7
Hydrochloric Acid SCHEMBL5499646 0.89 AAK1 (0.33) NPY5RPDCD1LG2CD274CD38CTSS
SCHEMBL5503778 0.87 CTSS (0.35) NPY5RHTR2AHTR2CHTR2BPDCD1LG2
SCHEMBL5504232 0.86 CTSS (0.36) NPY5RHTR2CPDCD1LG2CD274CTSS
SCHEMBL5506141 0.85 CD38 (0.35) NPY5RPDCD1LG2CD274JAK2JAK1
SCHEMBL5499827 0.85 P2RX7 (0.34) NPY5RCTSSP2RX7DPP4DPP8
SCHEMBL5502844 0.85 PDCD1LG2 (0.35) NPY5RPDCD1LG2CD274SYKCTSS
SCHEMBL5505896 0.85 NPY5R (0.39) NPY5RCD38DPP4DPP8DPP9
SCHEMBL5509832 0.85 NPY5R (0.41) NPY5RPDCD1LG2CD274JAK2JAK1

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