SCHEMBL20708016

SCHEMBL20708016

COc1cc(N2C(=O)C(C)(C)[C@@H]2c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.57
NPC1 O15118 1/20 0.47
HTR7 P34969 1/20 0.46
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL19423082 0.84 HSD11B1 (0.44) HSD11B1NPC1
SCHEMBL19423132 0.84 HSD11B1 (0.50) HSD11B1HTR7
SCHEMBL20708038 0.84 HSD11B1 (0.51) HSD11B1HTR7KCNH2
SCHEMBL24167463 0.81 HSD11B1 (0.73) HSD11B1KCNH2
SCHEMBL20708031 0.81 HSD11B1 (0.47) HSD11B1HTR7KDM4E
SCHEMBL20707997 0.79 PDE4A (0.46) HSD11B1HTR7
SCHEMBL20708051 0.78 TUBB1 (0.47) HSD11B1HTR7
SCHEMBL20708009 0.77 HSD11B1 (0.44) HSD11B1NPC1HTR7KDM4E
SCHEMBL20708032 0.77 HSD11B1 (0.43) HSD11B1HTR7
SCHEMBL20707981 0.77 POLB (0.50) HSD11B1KCNH2

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-3438105-A1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2019-02-06 EP disclosed