SCHEMBL3687960

SCHEMBL3687960

O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.51
CNR2 P34972 10/20 0.50
CNR1 P21554 5/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FAAH O00519 3/20 0.48

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
SCHEMBL3652097 0.99 CASR (0.50) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3694607 0.91 ALDH1A1 (0.49) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3686742 0.91 CASR (0.51) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3691093 0.89 CASR (0.48) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3686491 0.88 CASR (0.47) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3690093 0.87 CASR (0.49) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3651339 0.87 CASR (0.46) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3684720 0.85 CASR (0.49) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3684827 0.84 CASR (0.51) CASRCNR2CNR1KDM4EALDH1A1
SCHEMBL3683645 0.83 CASR (0.54) CASRCNR2CNR1KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP claimed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP claimed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO claimed
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP disclosed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed