SCHEMBL30437375

SCHEMBL30437375

COc1ccc(CN2C(=O)C3CCC2C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 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
SCHEMBL29317639 0.81 SIGMAR1 (0.52) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL22518782 0.80 TSHR (0.64) CMA1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL14175552 0.77 HCRTR1 (0.48) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL27224947 0.77 HCRTR1 (0.48) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL31506511 0.76 CMA1 (0.46) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL23706942 0.75 CMA1 (0.45) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL34469158 0.75 CMA1 (0.45) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL20833765 0.75 CMA1 (0.45) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL23706943 0.75 CYP3A4 (0.54) CMA1HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL34468997 0.75 CMA1 (0.45) CMA1HCRTR1HCRTR2GSK3AGSK3B

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-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed