SCHEMBL30823635

SCHEMBL30823635

CCCCCCCCC(CC)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
SOAT1 P35610 5/20 0.41
NR1I2 O75469 1/20 0.40
PTPN1 P18031 1/20 0.39
CSNK1E P49674 1/20 0.38

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
SCHEMBL8680532 0.98 CYSLTR2 (0.40) CYSLTR2CYSLTR1SOAT1NR1I2PTPN1
SCHEMBL8679055 0.93 CYSLTR2 (0.38) CYSLTR2CYSLTR1SOAT1PTPN1
SCHEMBL29223147 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1SOAT1PTPN1CSNK1E
SCHEMBL8680609 0.86 ADORA3 (0.37) SOAT1PTPN1
SCHEMBL8683347 0.83 CYSLTR2 (0.41) CYSLTR2CYSLTR1SOAT1PTPN1
SCHEMBL11692783 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1SOAT1
SCHEMBL8679017 0.82 ADORA3 (0.41)
SCHEMBL8524531 0.82 NR1I2 (0.45) CYSLTR2CYSLTR1NR1I2CSNK1E
SCHEMBL8683367 0.82 SOAT1 (0.42) CYSLTR2CYSLTR1SOAT1PTPN1CSNK1E
SCHEMBL984797 0.81 TSHR (0.42) CYSLTR2CYSLTR1NR1I2CSNK1E

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-113677334-B Transient receptor potential MELASTATIN 8 (TRPM 8) antagonists and related methods 马歇尔大学科研协会 2024-04-09 CN disclosed