SCHEMBL31413086

SCHEMBL31413086

c1ccc(Cc2cc3c(nc2Oc2ccccc2)CNCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.47
HTR2A P28223 5/20 0.42
HTR6 P50406 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR3A P46098 1/20 0.42
HTR2B P41595 11/20 0.41
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL30474149 0.72 HTR2C (0.48) HTR2C
SCHEMBL27735703 0.70 CYP1A2 (0.42)
SCHEMBL10277556 0.66 KCNH2 (0.49) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL10313038 0.66 HTR2C (0.48) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL21545792 0.65 AXL (0.46) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL28162014 0.65 HTR2C (0.60) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL30474224 0.65 CHRM4 (0.47) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL12749507 0.65 ABCG2 (0.38)
SCHEMBL29260695 0.65 PNMT (0.50) HTR6HTR1ADRD2DRD3
SCHEMBL222040 0.65 HTR2C (0.49) HTR2CHTR2B

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-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed