SCHEMBL25324819

SCHEMBL25324819

N#Cc1cc2c(cc1F)CNCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 8/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CD44 P16070 1/20 0.37
▸ MAOB P27338 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
SCHEMBL30474289 1.00 PNMT (0.53) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL21520728 0.87 TRPV4 (0.45) PNMTDRD2DRD3TRPV4
SCHEMBL4788250 0.81 PNMT (0.50) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29515916 0.79 PNMT (0.53) PNMTDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL7641237 0.78 PNMT (0.51) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL19512955 0.75 DRD2 (0.52) PNMTDRD2DRD3ASIC3HTR2A
SCHEMBL24265339 0.74 PNMT (0.54) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL18554679 0.73 PRCP (0.51) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL31391697 0.73 PNMT (0.50) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL28999502 0.73 PNMT (0.50) PNMTDRD2DRD3ADRA2AADRA2B

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
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 — — WO disclosed
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