SCHEMBL5422862

SCHEMBL5422862

CCCCCCCCCCNCc1[nH]nnc1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CHRM2 P08172 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SOAT1 P35610 2/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ S1PR2 O95136 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ LPAR2 Q9HBW0 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL5415883 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5424691 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5424851 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5415237 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5415941 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5421001 1.00 HRH4 (0.44) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5425522 0.99 HRH4 (0.45) HRH4HRH3CHRM2LMNAL3MBTL1
SCHEMBL5422167 0.95 HRH4 (0.40) HRH4HRH3CHRM2LMNASMN1; SMN2
SCHEMBL5437614 0.89 SLC6A4 (0.36) HRH4HRH3CHRM2LMNASMN1; SMN2
SCHEMBL5424703 0.88 SIGMAR1 (0.39) HRH4HRH3CHRM2LMNAL3MBTL1

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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