SCHEMBL5504644

SCHEMBL5504644

O=C1CCCN1C1CCCC(Cc2ccc(Oc3ccccc3)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
LTA4H P09960 8/20 0.39
KCNH2 Q12809 4/20 0.39
FFAR1 O14842 2/20 0.37
CCR5 P51681 2/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
P2RX7 Q99572 2/20 0.33

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 0.85 CTSS (0.36) P2RX7
SCHEMBL5503413 0.84 DPP4 (0.36) LTA4HKCNH2OPRM1OPRD1P2RX7
SCHEMBL5499759 0.82 SOS1 (0.35) OPRM1OPRD1OPRK1P2RX7
SCHEMBL5503827 0.82 CTSS (0.38) P2RX7
SCHEMBL5500736 0.81 KMT2A (0.35) OPRM1P2RX7
SCHEMBL5506343 0.81 P2RX7 (0.46) P2RX7
SCHEMBL5503988 0.80 P2RX7 (0.45) LMNAP2RX7
SCHEMBL5502881 0.79 TP53BP1 (0.40) FFAR1LMNAP2RX7
SCHEMBL5506132 0.79 SLC6A2 (0.36) HRH3LTA4HKCNH2P2RX7
SCHEMBL5499828 0.79 DPP4 (0.38) LTA4HOPRM1P2RX7

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