SCHEMBL30920104

SCHEMBL30920104

CCOC(=O)C1c2ccc(SC)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.53
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL24031472 1.00 GHSR (0.53) GHSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL30920110 0.91 GHSR (0.47) GHSR
SCHEMBL24031026 0.91 GHSR (0.47) GHSR
SCHEMBL25895663 0.87 GHSR (0.46) GHSRLMNA
SCHEMBL2081445 0.86 ESR2 (0.49) GHSR
SCHEMBL29233309 0.86 GHSR (0.55) GHSRGPR119
SCHEMBL30439807 0.86 GHSR (0.49) GHSR
SCHEMBL17391179 0.84 GHSR (0.46) GHSR
SCHEMBL17391103 0.84 GHSR (0.57) GHSRKDM4ELMNA
SCHEMBL17391030 0.84 GHSR (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580188-A Can be used as ROR gamma regulator aniline compound (B) 励缔(杭州)医药科技有限公司 2024-09-03 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
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