SCHEMBL5426445

SCHEMBL5426445

CCCCCNCCc1[nH]nnc1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL5424703 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5425640 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5420036 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5428666 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5420039 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5417228 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5424608 0.99 SIGMAR1 (0.39) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5434981 0.96 ALDH1A1 (0.36) SIGMAR1HRH4HRH3CHRM2ALDH1A1
SCHEMBL5427187 0.91 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL5425522 0.88 HRH4 (0.45) HRH4HRH3CHRM2ALDH1A1MAPT

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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