SCHEMBL31332073

SCHEMBL31332073

CCC(Cc1cccc2ccccc12)NC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP2D6 P10635 1/20 0.44
CTNNB1 P35222 1/20 0.44
SLC6A4 P31645 1/20 0.44
IDE P14735 2/20 0.43
KMT2A Q03164 2/20 0.43
UBE2N P61088 1/20 0.43
CYP2C9 P11712 1/20 0.43
MTNR1A P48039 1/20 0.42
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL16174128 1.00 NR3C1 (0.54) NR3C1PGRNR3C2MMEACE
SCHEMBL8322790 0.83 KMT2A (0.56) NR3C1PGRNR3C2CYP1A2CYP2C19
SCHEMBL7058293 0.82 KMT2A (0.43) NR3C1PGRNR3C2CYP1A2CYP2C19
SCHEMBL27456521 0.78 CYP1A2 (0.50) NR3C1PGRNR3C2MMEACE
SCHEMBL8877478 0.77 CYP1A2 (0.48) NR3C1PGRNR3C2MMEACE
SCHEMBL25633398 0.75 CYP1A2 (0.47) NR3C1PGRNR3C2MMEACE
SCHEMBL7910492 0.75 CTNNB1 (0.50) NR3C1PGRNR3C2MMEACE
SCHEMBL2480670 0.75 CTNNB1 (0.50) NR3C1PGRNR3C2MMEACE
SCHEMBL6024115 0.74 SIGMAR1 (0.47) NR3C1PGRNR3C2CYP1A2CYP2C19
SCHEMBL7528890 0.74 CYP1A2 (0.53) MMEACECPA1ACE2CYP1A2

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-119384406-A Compounds of formula (I) 赛洛私人有限公司 2025-01-28 CN disclosed