SCHEMBL30745377

SCHEMBL30745377

c1ccc(Oc2cccc(C3CCNC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
HTR1A P08908 5/20 0.49
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
SLC18A3 Q16572 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL24792580 1.00 HTR2C (0.56) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL21425209 0.92 DRD2 (0.56) HTR2CSLC6A2SLC6A4SLC6A3DRD2
SCHEMBL1810242 0.83 HTR2C (0.82) HTR2CHTR1ADRD2DRD3
SCHEMBL8049667 0.83 HTR2C (0.82) HTR2CHTR1ADRD2DRD3
SCHEMBL8032211 0.83 HTR2C (0.82) HTR2CHTR1ADRD2DRD3
SCHEMBL9390227 0.82 KCNH2 (0.48) HTR2CKCNH2
SCHEMBL9391575 0.82 CETP (0.50) HTR2CKCNH2
SCHEMBL11638505 0.81 KCNH2 (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4573066 0.81 HTR2C (0.82) HTR2CHTR1ADRD2
SCHEMBL495697 0.79 SLC18A3 (0.75) SLC18A3SIGMAR1

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 CN disclosed