SCHEMBL5447171

SCHEMBL5447171

CCCCn1nnc(-c2ccc(C)cc2)c1CCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SLC9A1 P19634 4/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL5455753 0.96 TLR8 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5455722 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5449258 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5453414 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5450976 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5453085 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5459864 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5459333 0.95 SLC9A1 (0.41) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5450580 0.89 MEN1 (0.42) MEN1KMT2ALTA4HCYP2D6CYP2C9
SCHEMBL5457443 0.85 TLR8 (0.43) MEN1KMT2ACYP2C9SLC9A1NPC1

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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