SCHEMBL30802460

SCHEMBL30802460

CC(C)(C)[S@@+]([O-])N[C@@H](c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.33
SLC6A2 P23975 8/20 0.33
CHRM1 P11229 2/20 0.33
AKT1 P31749 2/20 0.33
ROCK2 O75116 1/20 0.33
AKT2 P31751 1/20 0.33
KCNH2 Q12809 1/20 0.33
AKT3 Q9Y243 1/20 0.33
SLC6A3 Q01959 7/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WDR91 A4D1P6 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 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
SCHEMBL30069712 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL29157509 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL29157511 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL29157510 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL29157524 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL30069699 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL30069670 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL20474746 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL20474747 1.00 SLC6A4 (0.33) SLC6A4SLC6A2CHRM1AKT1ROCK2
SCHEMBL16356129 0.84 KCNA5 (0.35) GAAALDH1A1MAPK1

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-117561244-A Isoindolinone compounds and uses thereof 杭州格博生物医药有限公司 2024-02-13 CN disclosed