SCHEMBL29233309

SCHEMBL29233309

CSc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.55
GPR119 Q8TDV5 1/20 0.42
NR1H2 P55055 1/20 0.40
ESR2 Q92731 1/20 0.38
ACE P12821 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
SCHEMBL29233311 0.88 GHSR (0.49) GHSRACE
SCHEMBL30920104 0.86 GHSR (0.53) GHSRGPR119
SCHEMBL24031472 0.86 GHSR (0.53) GHSRGPR119
Ethane SCHEMBL29233312 0.85 ESR2 (0.54) GHSRESR2
SCHEMBL3069653 0.85 ESR2 (0.54) GHSRESR2
SCHEMBL25895785 0.85 GHSR (0.48) GHSRGPR119NR1H2
SCHEMBL29259169 0.84 GHSR (0.51) GHSR
SCHEMBL8224318 0.84 GHSR (0.54) GHSRESR2
SCHEMBL15568922 0.84 GHSR (0.52) GHSRNR1H2
SCHEMBL1519350 0.83 GHSR (0.59) GHSR

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-113773251-B Anilines useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-113666863-B Biaryl compounds useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed