SCHEMBL5434984

SCHEMBL5434984

CCCCNCCc1[nH]nnc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ HTR7 P34969 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ MPO P05164 1/20 0.31

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
SCHEMBL5426449 0.96 SIGMAR1 (0.44) SIGMAR1HTR7HTR1AHTR1DHTR1B
SCHEMBL5420038 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5428668 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5425641 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5420044 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5424611 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5424707 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5417231 0.95 SIGMAR1 (0.43) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5427190 0.92 GAA (0.35) SIGMAR1HTR7HTR1AHTR1DHTR1B
SCHEMBL5422175 0.88 CHRM2 (0.37) HTR7HTR1AHTR1DHTR2AHTR2B

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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