SCHEMBL28093455

SCHEMBL28093455

c1ccc2[nH]c(N3CCNC3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.82
BCHE P06276 2/20 0.64
ACHE P22303 2/20 0.64
TP53 P04637 2/20 0.60
TRPC3 Q13507 1/20 0.57
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
SORD Q00796 1/20 0.48
HTR2B P41595 1/20 0.47
NPY5R Q15761 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
AURKA O14965 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
HTR3B O95264 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB1 P08588 1/20 0.44

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
SCHEMBL531762 0.90 HTR3A (1.00) HTR3ABCHEACHETP53TRPC3
SCHEMBL3075702 0.84 HTR3A (0.88) HTR3ABCHEACHETP53TRPC3
Bromide SCHEMBL6599072 0.83 HTR3A (0.85) HTR3ABCHEACHETP53TRPC3
SCHEMBL8880315 0.81 HTR3A (0.82) HTR3ABCHEACHETP53TRPC3
SCHEMBL2674037 0.80 BCHE (0.90) HTR3ABCHEACHETP53TRPC3
SCHEMBL2676103 0.80 BCHE (0.96) HTR3ABCHEACHETP53TRPC3
SCHEMBL717865 0.78 BCHE (1.00) HTR3ABCHEACHETP53TRPC3
SCHEMBL2241920 0.78 BCHE (1.00) HTR3ABCHEACHETP53TRPC3
Trifluoroacetic Acid SCHEMBL7667563 0.78 HTR3A (0.74) HTR3ABCHEACHETP53TRPC3
SCHEMBL4674485 0.77 BCHE (0.73) HTR3ABCHEACHETP53TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097003-B High CO2to amine absorbability CO2washing methods 埃克森美孚研究工程公司 2016-10-12 CN disclosed