SCHEMBL30103049

SCHEMBL30103049

COc1ccc(-c2ncc(Cn3ncc4cc(Cl)cc(C(=O)NC5CC6(CC(CC(=O)O)C6)C5)c43)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
HPGDS O60760 2/20 0.38
CNR2 P34972 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GCGR P47871 2/20 0.36
ROCK2 O75116 5/20 0.36
CNR1 P21554 2/20 0.35
CRHR1 P34998 2/20 0.34
CRHR2 Q13324 1/20 0.34
KLK7 P49862 1/20 0.34
FAAH O00519 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
ENPP2 Q13822 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK1 Q15118 1/20 0.34

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
SCHEMBL24784548 1.00 MCHR1 (0.39) MCHR1HPGDSCNR2MEN1KMT2A
SCHEMBL30103065 0.92 IDH1 (0.37) MCHR1HPGDSMEN1KMT2AROCK2
SCHEMBL30103101 0.91 CRHR1 (0.37) MCHR1CNR2ROCK2CNR1CRHR1
SCHEMBL30103091 0.91 CRHR1 (0.37) MCHR1CNR2ROCK2CNR1CRHR1
SCHEMBL24785453 0.91 CRHR1 (0.37) MCHR1CNR2ROCK2CNR1CRHR1
SCHEMBL24784610 0.91 MCHR1 (0.43) MCHR1CNR2MEN1KMT2AGCGR
SCHEMBL24785350 0.90 MCHR1 (0.37) MCHR1CNR2ROCK2CRHR1CRHR2
SCHEMBL30018547 0.90 MCHR1 (0.37) MCHR1CNR2ROCK2CRHR1CRHR2
SCHEMBL24785852 0.90 MCHR1 (0.34) MCHR1HPGDSCNR2ROCK2CNR1
SCHEMBL30017941 0.90 MCHR1 (0.34) MCHR1HPGDSCNR2ROCK2CNR1

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed