SCHEMBL5500968

SCHEMBL5500968

O=C1CCCN1C1CCCC(Cc2ccc(N3CCC(O)C3)cc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
TP53BP1 Q12888 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL5502881 0.87 TP53BP1 (0.40) TP53BP1L3MBTL3L3MBTL1
SCHEMBL5500702 0.85 TP53BP1 (0.39) CDK4CCND1CCND2CCND3TP53BP1
SCHEMBL5506343 0.80 P2RX7 (0.46)
SCHEMBL5500736 0.80 KMT2A (0.35) L3MBTL1
SCHEMBL5503988 0.79 P2RX7 (0.45)
SCHEMBL5499827 0.79 P2RX7 (0.34)
SCHEMBL5504232 0.77 CTSS (0.36)
SCHEMBL5506132 0.77 SLC6A2 (0.36)
SCHEMBL5499828 0.77 DPP4 (0.38)
SCHEMBL5503413 0.77 DPP4 (0.36) L3MBTL1

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 4 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
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