SCHEMBL5500736

SCHEMBL5500736

O=C1CCCN1C1CCCC(Cc2ccc(Br)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
P2RX7 Q99572 6/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F10 P00742 1/20 0.32
OPRM1 P35372 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
SCHEMBL5499828 0.97 DPP4 (0.38) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5506343 0.87 P2RX7 (0.46) P2RX7
SCHEMBL5503988 0.85 P2RX7 (0.45) P2RX7DPP4DPP8DPP9SMN1; SMN2
SCHEMBL5502881 0.84 TP53BP1 (0.40) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5506132 0.84 SLC6A2 (0.36) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL4069187 0.84 CCRL2 (0.33) P2RX7
SCHEMBL5504232 0.84 CTSS (0.36) P2RX7DPP4DPP8DPP9PDCD1LG2
SCHEMBL5503413 0.83 DPP4 (0.36) P2RX7DPP4DPP8DPP9L3MBTL1
SCHEMBL5499827 0.83 P2RX7 (0.34) P2RX7DPP4DPP8DPP9F10
SCHEMBL5506180 0.82 AAK1 (0.34) P2RX7DPP4DPP8DPP9PDCD1LG2

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