SCHEMBL28898995

SCHEMBL28898995

Oc1ccccc1CCCc1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.42
SLC6A4 P31645 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MGLL Q99685 1/20 0.40
HSPA5 P11021 1/20 0.38
IDO1 P14902 2/20 0.37
IAPP P10997 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HTR1A P08908 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2854051 0.81 HSPA5 (0.52) MPOTAAR1HSPA5IDO1CYP2D6
SCHEMBL13079527 0.78 ALDH1A1 (0.32)
SCHEMBL4967651 0.76 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL29869051 0.75 HTR2A (0.41) IDO1HRH3
SCHEMBL10438887 0.74 TAAR1 (0.62) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL1931499 0.73 HSPA5 (0.37) HSPA5IDO1CYP2D6TSHRHIF1A
SCHEMBL28396262 0.72 L3MBTL1 (0.34)
SCHEMBL3800530 0.72 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL8797884 0.71 HRH1 (0.51) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL2005497 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113293045-B Vulcanized nano-doped graphene anti-wear and anti-friction lubricating oil additive and preparation method and application thereof 中国人民解放军空军勤务学院 2022-11-01 CN claimed
CN-113293045-A Vulcanized nano-doped graphene anti-wear and anti-friction lubricating oil additive and preparation method and application thereof 中国人民解放军空军勤务学院 2021-08-24 CN claimed
CN-113293045-B Vulcanized nano-doped graphene anti-wear and anti-friction lubricating oil additive and preparation method and application thereof 中国人民解放军空军勤务学院 2022-11-01 CN disclosed
CN-113293045-A Vulcanized nano-doped graphene anti-wear and anti-friction lubricating oil additive and preparation method and application thereof 中国人民解放军空军勤务学院 2021-08-24 CN disclosed