SCHEMBL5425529

SCHEMBL5425529

CCCCCNCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SOAT1 P35610 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ SCN8A Q9UQD0 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
SCHEMBL5424693 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5424856 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5415945 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5415240 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5415889 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5422866 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5421006 0.99 CHRM2 (0.41) CHRM2HRH4HRH3SIGMAR1SMN1; SMN2
SCHEMBL5422175 0.96 CHRM2 (0.37) CHRM2HRH4HRH3MEN1KMT2A
SCHEMBL5437617 0.91 GAA (0.36) CHRM2SMN1; SMN2MEN1KMT2AGAA
SCHEMBL5426449 0.89 SIGMAR1 (0.44) CHRM2HRH4HRH3SIGMAR1GAA

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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