SCHEMBL4787400

SCHEMBL4787400

FC(F)(F)c1cccc(C(Cc2ccc(Br)cc2)NC2=NCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.40
▸ ACP3 P15309 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HTR1D P28221 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ PTGIR P43119 1/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ITGB3 P05106 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL4788949 0.90 ACP3 (0.45) ADRA2AACP3PTPN2PTPN1LMNA
SCHEMBL4788737 0.76 NISCH (0.43) ADRA2ALMNAHTTNPSR1
SCHEMBL949042 0.74 KDM4E (0.52) ADRA2ALMNAHTTPTGIRNPSR1
SCHEMBL4114349 0.73 WDR5 (0.48) ADRA2ALMNAHTTSLC6A4NPSR1
SCHEMBL4787520 0.73 HTR1B (0.46) ADRA2AHTR1DLMNAHTTSLC6A4
SCHEMBL14042569 0.73 HTR1B (0.46) ADRA2AHTR1DLMNAHTTSLC6A4
Iodide SCHEMBL951481 0.73 KDM4E (0.51) ADRA2ALMNAHTTPTGIRNPSR1
SCHEMBL3431450 0.73 WDR5 (0.46) ADRA2AHTR1DLMNAMAPTPTGIR
SCHEMBL4788401 0.72 KDM4E (0.44) ADRA2AHTTNPSR1ITGB3ITGAV
SCHEMBL4785397 0.72 PTGIR (0.47) ADRA2ALMNAHTTPTGIRNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 — — WO claimed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 — — WO disclosed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 — — WO disclosed
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