SCHEMBL5499740

SCHEMBL5499740

Nc1ccc(Cl)c(CC2CCCC(N3CCCC3=O)C2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
OPRL1 P41146 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TACR1 P25103 1/20 0.30
BTK Q06187 1/20 0.30
F10 P00742 1/20 0.30
MGLL Q99685 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
SCHEMBL5504207 0.89 MEN1 (0.33) DPP4DPP8DPP9PDCD1LG2CD274
SCHEMBL5503074 0.87 DPP4 (0.32) DPP4DPP8DPP9PDCD1LG2CD274
SCHEMBL5499711 0.83 DPP4 (0.36) DPP4DPP8DPP9OPRL1F10
SCHEMBL5503355 0.82 MEN1 (0.34) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL5503476 0.81 PDCD1LG2 (0.32) PDCD1LG2CD274
SCHEMBL5506971 0.81 CNR2 (0.32) PDCD1LG2CD274
Hydrochloric Acid SCHEMBL5505492 0.81 PDCD1LG2 (0.31) PDCD1LG2CD274
SCHEMBL5503253 0.81 DPP4 (0.31) DPP4DPP8DPP9TACR1
SCHEMBL5499906 0.80 LMNA (0.44) DPP4DPP8DPP9MEN1POLB
SCHEMBL5499746 0.80 DPP4 (0.36) DPP4DPP8DPP9PDCD1LG2CD274

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 disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed