SCHEMBL29079757

SCHEMBL29079757

CC(C)(C)OC(=O)N1CCC(c2cccc(CBr)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.48
MAPT P10636 3/20 0.48
THRB P10828 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
PRMT5 O14744 2/20 0.47
GPR119 Q8TDV5 5/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL10324303 0.89 TRPV3 (0.52) TRPV3MAPTTHRBKDM4ESMN1; SMN2
SCHEMBL31192638 0.89 TRPV3 (0.52) TRPV3MAPTTHRBKDM4ESMN1; SMN2
SCHEMBL25279836 0.88 TRPV3 (0.48) TRPV3MAPTTHRBKDM4ESMN1; SMN2
SCHEMBL14240648 0.84 TRPV3 (0.51) TRPV3MAPTTHRBKDM4EPRMT5
SCHEMBL1556569 0.84 GPR119 (0.48) TRPV3PRMT5GPR119
SCHEMBL29518419 0.83 GPR119 (0.50) TRPV3MAPTTHRBKDM4EPRMT5
SCHEMBL16291592 0.83 GPR119 (0.50) TRPV3MAPTTHRBKDM4EPRMT5
SCHEMBL20140593 0.83 HTR1A (0.54) TRPV3MAPTTHRBKDM4EGPR119
SCHEMBL25952601 0.83 HPGD (0.49) TRPV3MAPTTHRBKDM4ESMN1; SMN2
SCHEMBL23554565 0.83 TRPV3 (0.53) TRPV3MAPTTHRBKDM4ESMN1; SMN2

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-117624145-A Selenium-containing compound and application thereof 中国药科大学 2024-03-01 CN disclosed
CN-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed