SCHEMBL3694607

SCHEMBL3694607

O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
EPHX2 P34913 2/20 0.49
CNR2 P34972 8/20 0.48
CASR P41180 4/20 0.48
CNR1 P21554 4/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL3687960 0.91 CASR (0.51) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL3652097 0.90 CASR (0.50) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL3686742 0.88 CASR (0.51) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL3690093 0.84 CASR (0.49) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL3684720 0.84 CASR (0.49) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL3079492 0.82 HSD11B1 (0.54) ALDH1A1CNR2CNR1MAPT
SCHEMBL3691093 0.82 CASR (0.48) ALDH1A1NPSR1CNR2CASRCNR1
SCHEMBL1407088 0.82 POLB (0.53) ALDH1A1NPSR1EPHX2CNR2CNR1
SCHEMBL13962615 0.82 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10
SCHEMBL3686491 0.82 CASR (0.47) ALDH1A1NPSR1CNR2CASRCNR1

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