SCHEMBL5428666

SCHEMBL5428666

CCCCCCCCCCNCCc1[nH]nnc1-c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ HRH4 Q9H3N8 3/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SOAT1 P35610 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ S1PR2 O95136 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 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
SCHEMBL5424608 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5424703 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5417228 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5420036 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5420039 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5425640 1.00 SIGMAR1 (0.39) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5426445 0.99 SIGMAR1 (0.40) SIGMAR1CHRM2HRH4HRH3L3MBTL1
SCHEMBL5434981 0.95 ALDH1A1 (0.36) SIGMAR1CHRM2HRH4HRH3ALDH1A1
SCHEMBL5427187 0.89 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL5422862 0.88 HRH4 (0.44) CHRM2HRH4HRH3L3MBTL1ALDH1A1

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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