SCHEMBL9044489

SCHEMBL9044489

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccncc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
TSHR P16473 2/20 0.50
PABPC1 P11940 1/20 0.48
EPHX2 P34913 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 2/20 0.44
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL9043610 0.88 CNR2 (0.38) CNR2TSHRPABPC1EPHX2KDM4E
SCHEMBL9040723 0.87 CNR2 (0.56) CNR2TSHRPABPC1EPHX2ALDH1A1
SCHEMBL9043728 0.81 HSD11B1 (0.41) CNR2HTTFAAH
SCHEMBL9044359 0.76 NPC1 (0.47) KDM4EALDH1A1HPGDNPSR1
SCHEMBL9044341 0.76 CNR2 (0.42) CNR2TSHREPHX2ALDH1A1NPSR1
SCHEMBL9041316 0.74 EPHX1 (0.45) EPHX2KDM4EALDH1A1HPGDHTT
SCHEMBL9520932 0.71 ALDH1A1 (0.49) CNR2TSHREPHX2KDM4EHSD17B10
SCHEMBL2917775 0.70 CNR2 (1.00) CNR2TSHREPHX2KDM4EHSD17B10
SCHEMBL16872821 0.69 FAAH (0.71) CNR2TSHRPABPC1EPHX2KDM4E
SCHEMBL28444022 0.68 CNR2 (0.70) CNR2TSHRPABPC1EPHX2KDM4E

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-0578419-B1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1996-09-04 EP disclosed
EP-0578419-A1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-01-12 EP disclosed