SCHEMBL29015102

SCHEMBL29015102

CC1(C)OC(c2ccccc2Cl)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL29015095 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL29418611 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL15551716 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL17119535 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL17093315 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL29418820 1.00 TAAR1 (0.37) TAAR1TSHRLMNAHTR1AHTR2A
SCHEMBL10978460 0.84 TSHR (0.48) TAAR1TSHRLMNAHTR1AALDH1A1
SCHEMBL10978467 0.84 TSHR (0.48) TAAR1TSHRLMNAHTR1AALDH1A1
SCHEMBL15892809 0.82 TSHR (0.47) TAAR1TSHRLMNAHTR1AALDH1A1
SCHEMBL15892812 0.82 TSHR (0.47) TAAR1TSHRLMNAHTR1AALDH1A1

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-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed