SCHEMBL29699499

SCHEMBL29699499

Cc1ccc(C(C)C)c(I)c1I.[Ru]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
TRPA1 O75762 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2B P41595 2/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
GPR55 Q9Y2T6 2/20 0.35
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRB1 P18505 2/20 0.33
PTGS1 P23219 2/20 0.31
CACNA1C Q13936 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27924036 1.00 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29612241 0.95 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL23055660 0.84 GABRA1 (0.42) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL12652906 0.81 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL29538054 0.77 GABRA1 (0.45) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL467309 0.77 GABRA1 (0.48) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL6239179 0.76 TSHR (0.46) LMNASLC6A2HTR2BADRA1AGABRA1
SCHEMBL7626926 0.76 CYP1A2 (0.39) LMNACA1CA2CYP1A2TSHR
SCHEMBL2593118 0.69 GABRA1 (0.55) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL22991520 0.68 LMNA (0.47) LMNATRPA1SLC6A2HTR2BCHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974725-A Method for preparing pharmaceutical intermediate 深圳市祥根生物医药有限公司 2023-04-18 CN disclosed
CN-110586195-B Chiral catalyst and preparation method and application thereof 成都信立诺医药科技有限公司 2022-06-14 CN disclosed