SCHEMBL29032138

SCHEMBL29032138

CC(=O)NCCc1cc(Br)cc2ccc(OC3CC3)cc12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.66
HTR2C P28335 4/20 0.57
MTNR1B P49286 9/20 0.52
HTR2B P41595 1/20 0.51

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
SCHEMBL30449470 1.00 MTNR1A (0.66) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL30449399 0.89 MTNR1A (0.53) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032187 0.89 MTNR1A (0.53) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032212 0.88 MTNR1A (0.67) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032218 0.88 MTNR1A (0.67) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032143 0.88 MTNR1A (0.67) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032225 0.87 MTNR1A (0.66) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032210 0.87 MTNR1A (0.66) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL29032219 0.86 MTNR1A (0.53) MTNR1AHTR2CMTNR1B
SCHEMBL30449202 0.85 MTNR1A (0.71) MTNR1AHTR2CMTNR1BHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478059-A Crystal form, eutectic crystal form and eutectic crystal form of dicyclic derivative regulator and preparation method thereof 上海翰森生物医药科技有限公司 2023-07-25 CN claimed
CN-116249691-B Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-04-25 CN disclosed
CN-116478059-A Crystal form, eutectic crystal form and eutectic crystal form of dicyclic derivative regulator and preparation method thereof 上海翰森生物医药科技有限公司 2023-07-25 CN disclosed
CN-116249691-A Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-09 CN disclosed