SCHEMBL5453414

SCHEMBL5453414

CCCCCCCCCCCn1nnc(-c2ccc(C)cc2)c1CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 3/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL5450976 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5459333 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5455722 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5459864 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5453085 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5449258 1.00 SLC9A1 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5455753 0.99 TLR8 (0.41) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5447171 0.95 MEN1 (0.40) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5454878 0.90 SLC9A1 (0.43) SLC9A1TLR8NPC1RAB9AATM
SCHEMBL5460337 0.90 SLC9A1 (0.43) SLC9A1TLR8NPC1RAB9AATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 — — US disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 — — US disclosed
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