SCHEMBL5425641

SCHEMBL5425641

CCCCCCCCCCCNCCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.43
▸ CHRM2 P08172 1/20 0.38
▸ SOAT1 P35610 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ ASAH1 Q13510 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP4Z1 Q86W10 1/20 0.32

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
SCHEMBL5424707 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5428668 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5417231 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5420038 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5420044 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5424611 1.00 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5426449 0.99 SIGMAR1 (0.44) SIGMAR1CHRM2SOAT1HRH4HRH3
SCHEMBL5434984 0.95 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5427190 0.90 GAA (0.35) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5415889 0.89 CHRM2 (0.41) SIGMAR1CHRM2SOAT1HRH4HRH3

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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