SCHEMBL30920110

SCHEMBL30920110

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.47
ALDH1A1 P00352 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24031026 1.00 GHSR (0.47) GHSRALDH1A1NR1H2MAPTNPSR1
SCHEMBL30920104 0.91 GHSR (0.53) GHSR
SCHEMBL24031472 0.91 GHSR (0.53) GHSR
SCHEMBL30439807 0.89 GHSR (0.49) GHSRMAPTNPSR1
SCHEMBL29233311 0.89 GHSR (0.49) GHSRALDH1A1
SCHEMBL25895663 0.86 GHSR (0.46) GHSRNR1H2NPSR1
SCHEMBL2081445 0.85 ESR2 (0.49) GHSR
SCHEMBL17391179 0.84 GHSR (0.46) GHSRNR1H2MEN1KMT2A
SCHEMBL17391103 0.84 GHSR (0.57) GHSRMAPTKMT2A
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-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