SCHEMBL5500702

SCHEMBL5500702

CN1CCN(c2ccc(CC3CCCC(N4CCCC4=O)C3)c(Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HIF1A Q16665 1/20 0.35
NUAK1 O60285 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MARK3 P27448 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
MARK4 Q96L34 1/20 0.35
NUAK2 Q9H093 1/20 0.35
MARK1 Q9P0L2 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAP4K1 Q92918 2/20 0.34
ALDH1A1 P00352 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 0.91 TP53BP1 (0.40) TP53BP1L3MBTL3L3MBTL1LMNAP2RX7
SCHEMBL5500968 0.85 AR (0.42) TP53BP1L3MBTL3L3MBTL1CDK4CCND1
SCHEMBL5500736 0.81 KMT2A (0.35) L3MBTL1P2RX7
SCHEMBL5506343 0.81 P2RX7 (0.46) ALDH1A1P2RX7
SCHEMBL5503988 0.80 P2RX7 (0.45) LMNAP2RX7
SCHEMBL4069500 0.80 HPGD (0.42) L3MBTL3L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5500156 0.80 HPGD (0.42) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL5504232 0.79 CTSS (0.36) P2RX7
SCHEMBL5506132 0.79 SLC6A2 (0.36) P2RX7
SCHEMBL5499828 0.79 DPP4 (0.38) P2RX7

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