SCHEMBL5422175

SCHEMBL5422175

CCCCNCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.37
▸ GAA P10253 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ SCN8A Q9UQD0 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ APAF1 O14727 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5425529 0.96 CHRM2 (0.39) CHRM2GAAMAPK1SCN8AMEN1
SCHEMBL5424856 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5421006 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5415889 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5415945 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5422866 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5415240 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5424693 0.95 CHRM2 (0.41) CHRM2GAAMAPK1MEN1KMT2A
SCHEMBL5437617 0.92 GAA (0.36) CHRM2GAAMAPK1HTR1AHTR1D
SCHEMBL5434984 0.88 SIGMAR1 (0.39) CHRM2GAAHTR1AHTR1DHTR2A

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
US-8083965-B2 Refrigerating machine oil NIPPON OIL CORPORATION (JP) 2011-12-27 — — US disclosed
US-20070275865-A1 Refrigerating Machine Oil NIPPON OIL CORPORATION (JP) 2007-11-29 — — US disclosed
US-20070257229-A1 Refrigerating Machine Oil Composition NIPPON OIL CORPORATION (JP) 2007-11-08 — — US disclosed
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