SCHEMBL5502793

SCHEMBL5502793

O=C1CCCN1C1CCC(O)C(Cc2c(Cl)cc(OCc3cccnc3)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
LTA4H P09960 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
CNR1 P21554 1/20 0.35
SYK P43405 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PRKDC P78527 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
VNN1 O95497 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
SCHEMBL5507807 0.90 HRH3 (0.39) LTA4H
SCHEMBL5509855 0.85 CYP11B2 (0.39) GRM2CNR1
SCHEMBL5500218 0.80 MMP13 (0.38) HTR2CHTR2B
SCHEMBL5501184 0.79 NPY5R (0.35) GRM2LTA4HSYK
SCHEMBL4067724 0.79 HRH3 (0.39) LTA4HKCNH2
SCHEMBL5504560 0.78 BTK (0.38) LTA4HHTR2CHTR2BP2RX7KCNH2
SCHEMBL5499959 0.76 CYP11B1 (0.38) CNR1P2RX7
SCHEMBL2991503 0.75 GRM2 (0.42) GRM2GPR84PRKAB2PRKAG1PRKAA2
SCHEMBL2991500 0.75 GRM2 (0.42) GRM2GPR84PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL2995226 0.75 GRM2 (0.41) GRM2GPR84PRKAB2PRKAG1PRKAA2

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