SCHEMBL5426449

SCHEMBL5426449

CCCCCNCCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.44
▸ CHRM2 P08172 1/20 0.35
▸ SOAT1 P35610 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL5417231 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5424611 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5428668 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5425641 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5420038 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5424707 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5420044 0.99 SIGMAR1 (0.43) SIGMAR1CHRM2SOAT1TLR8ALDH1A1
SCHEMBL5434984 0.96 SIGMAR1 (0.39) SIGMAR1CHRM2TLR8GAAALDH1A1
SCHEMBL5427190 0.91 GAA (0.35) SIGMAR1GAAALDH1A1HTR1AHTR1D
SCHEMBL5425529 0.89 CHRM2 (0.39) SIGMAR1CHRM2SOAT1TLR8GAA

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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