SCHEMBL5509832

SCHEMBL5509832

Cc1ccc(-c2ccc(CC3CCCC(N4CCCC4=O)C3)c(Cl)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.41
MCHR1 Q99705 3/20 0.35
P2RX7 Q99572 4/20 0.33
MTOR P42345 1/20 0.33
RET P07949 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MELK Q14680 1/20 0.33
CD38 P28907 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL5506013 0.99 NPY5R (0.40) NPY5RMCHR1P2RX7MTORRET
SCHEMBL5506470 0.92 NPY5R (0.40) NPY5RP2RX7MELKCD38PDCD1LG2
SCHEMBL5505896 0.89 NPY5R (0.39) NPY5RMTORCD38
SCHEMBL5500238 0.88 DPP4 (0.41) NPY5RMTORPDCD1LG2CD274
SCHEMBL5499996 0.87 CNR1 (0.38) JAK2CYP11B2
Hydrochloric Acid SCHEMBL5504549 0.86 CNR1 (0.38) JAK2CYP11B2
SCHEMBL5506141 0.86 CD38 (0.35) NPY5RP2RX7JAK2JAK1JAK3
SCHEMBL5504552 0.85 NPY5R (0.34) NPY5RP2RX7JAK2JAK1JAK3
SCHEMBL5506180 0.85 AAK1 (0.34) NPY5RMCHR1P2RX7CD38PDCD1LG2
SCHEMBL5504232 0.84 CTSS (0.36) NPY5RP2RX7PDCD1LG2CD274

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