SCHEMBL5503413

SCHEMBL5503413

O=C1CCCN1C1CCCC(Cc2ccc(Cc3ccccc3)cc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
P2RX7 Q99572 4/20 0.36
LTA4H P09960 3/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 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
SCHEMBL5504232 0.87 CTSS (0.36) DPP4DPP8DPP9P2RX7
SCHEMBL5504644 0.84 HRH3 (0.41) P2RX7LTA4HKCNH2OPRM1OPRD1
SCHEMBL5499759 0.84 SOS1 (0.35) DPP4DPP8DPP9P2RX7OPRM1
SCHEMBL5503988 0.84 P2RX7 (0.45) DPP4DPP8DPP9P2RX7
SCHEMBL5503827 0.83 CTSS (0.38) P2RX7ACHE
SCHEMBL5500736 0.83 KMT2A (0.35) DPP4DPP8DPP9P2RX7L3MBTL1
SCHEMBL5506343 0.83 P2RX7 (0.46) P2RX7ALDH1A1
SCHEMBL5504575 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1THRB
SCHEMBL5499828 0.82 DPP4 (0.38) DPP4DPP8DPP9P2RX7LTA4H
SCHEMBL5504613 0.82 HTR2C (0.39) DPP4DPP8DPP9P2RX7ACHE

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