SCHEMBL30454467

SCHEMBL30454467

O=c1ccc(N2CCNCC2)nn1CCc1ccc(Cl)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.52
▸ HTR2A P28223 3/20 0.52
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ P2RX7 Q99572 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL22391775 1.00 HTR2C (0.52) HTR2CHTR2AHTR3EHTR3BHTR3A
SCHEMBL22391864 0.77 PTGDR2 (0.44) HTR2CHTR2AHTR2BDPP4
SCHEMBL30454657 0.77 PTGDR2 (0.44) HTR2CHTR2AHTR2BDPP4
SCHEMBL30454533 0.74 GLP1R (0.37) HTR2CHTR2ATRPA1
SCHEMBL29016266 0.72 HTR2C (0.49) HTR2CHTR2AHTR3EHTR3BHTR3A
SCHEMBL22392142 0.72 HTR1A (0.40) HTR2CHTR2AHTR3EHTR3BHTR3A
SCHEMBL30454719 0.72 HTR1A (0.40) HTR2CHTR2AHTR3EHTR3BHTR3A
SCHEMBL20288052 0.70 HTR3A (0.51) HTR2CHTR2AHTR3EHTR3BHTR3A
SCHEMBL13533076 0.69 HTR2C (0.54) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL28973080 0.69 HTR3A (0.50) HTR2CHTR2AHTR3EHTR3BHTR3A

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-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 — — CN disclosed
Send feedback