SCHEMBL12435406

SCHEMBL12435406

Cn1ncc(C(=O)NC23CCCC(CC4CC4C2)C3)c1-n1cccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CNR2 P34972 6/20 0.36
CNR1 P21554 5/20 0.36
HSD11B1 P28845 2/20 0.35
CASR P41180 5/20 0.35
ALDH1A1 P00352 2/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2318199 0.83 POLB (0.56) POLBCNR2CNR1CASRALDH1A1
SCHEMBL2318195 0.73 LMNA (0.57) HSD11B1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1406843 0.71 HSD11B1 (0.67) HSD11B1
SCHEMBL13293979 0.71 HSD11B1 (0.67) HSD11B1
SCHEMBL13293978 0.71 HSD11B1 (0.67) HSD11B1
SCHEMBL14412568 0.71 HSD11B1 (0.48) HSD11B1
SCHEMBL12809744 0.70 HSD11B1 (0.48) HSD11B1
SCHEMBL14412760 0.70 HSD11B1 (0.48) HSD11B1
SCHEMBL1406770 0.70 POLB (0.56) POLBCNR2CNR1CASRALDH1A1
SCHEMBL2320782 0.70 P2RX7 (0.52) CNR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed