SCHEMBL21739459

SCHEMBL21739459

CCN1CCC2(CCC(=O)N2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CD274 Q9NZQ7 12/20 0.40
PDCD1LG2 Q9BQ51 9/20 0.40
LTA4H P09960 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PDCD1 Q15116 3/20 0.35
PRMT1 Q99873 1/20 0.34
HSD11B1 P28845 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL22256990 0.89 PDCD1LG2 (0.42) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL21673277 0.85 PDCD1LG2 (0.38) CYP11B1CYP11B2CD274PDCD1LG2KDM4E
SCHEMBL21673296 0.83 CYP11B1 (0.44) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL21290758 0.81 CYP2D6 (0.41) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL12658986 0.79 NEK2 (0.48) CYP11B1CYP11B2CD274PDCD1LG2KDM4E
SCHEMBL22053044 0.76 KDM4E (0.36) CD274PDCD1LG2KDM4EGAAOPRM1
SCHEMBL21322405 0.75 LTA4H (0.41) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL22783791 0.74 CYP11B1 (0.43) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL18806108 0.74 CYP11B1 (0.43) CYP11B1CYP11B2CD274PDCD1LG2LTA4H
SCHEMBL21452277 0.74 CYP11B1 (0.43) CYP11B1CYP11B2CD274PDCD1LG2KDM4E

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
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed