SCHEMBL1407243

SCHEMBL1407243

CN1CCN(c2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cnn2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
EPHX2 P34913 2/20 0.48
KDM4E B2RXH2 2/20 0.47
CNR2 P34972 4/20 0.47
CNR1 P21554 2/20 0.47
CASR P41180 4/20 0.44
PABPC1 P11940 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL1406770 0.92 POLB (0.56) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1407048 0.91 POLB (0.55) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1406914 0.91 POLB (0.55) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1407088 0.88 POLB (0.53) POLBEPHX2CNR2CNR1ALDH1A1
SCHEMBL1407259 0.88 POLB (0.53) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1406598 0.88 POLB (0.53) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1407044 0.88 POLB (0.50) POLBKDM4ECNR2CNR1CASR
SCHEMBL1406820 0.85 POLB (0.50) POLBEPHX2CNR2CNR1CASR
SCHEMBL1406965 0.84 POLB (0.51) POLBEPHX2KDM4ECNR2CNR1
SCHEMBL1406815 0.84 POLB (0.51) POLBEPHX2KDM4ECNR2CNR1

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-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed