SCHEMBL29705652

SCHEMBL29705652

N#CC1(c2ccc(OCC3CCCCC3)nc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
HSD11B2 P80365 1/20 0.39
KDM1A O60341 3/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
XDH P47989 1/20 0.36
MAP4K4 O95819 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 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
SCHEMBL23163760 0.90 HSD11B1 (0.40) HSD11B1HSD11B2KDM1ACCNA2CDK2
SCHEMBL29705644 0.87 NFE2L2 (0.39) HSD11B1HSD11B2MAP4K4CTSLCTSS
SCHEMBL23163619 0.78 NFE2L2 (0.36) HSD11B1HSD11B2CTSLCTSSCTSK
SCHEMBL23163735 0.73 TBK1 (0.36) CCNA2CDK2CCNA1XDHPDE4A
SCHEMBL15821832 0.71 MAP4K4 (0.47) MAP4K4SLC6A4SLC6A3
SCHEMBL10351821 0.71 NR1H4 (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL18805036 0.71 HCRTR2 (0.44) HSD11B1
SCHEMBL18805051 0.71 EP300 (0.44) HSD11B1CCNA2CDK2CCNA1
SCHEMBL6546408 0.71 PDE4B (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL16462200 0.69 MGAT2 (0.39) PDE4APDE4BPDE4CPDE4D

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
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed