SCHEMBL16198525

SCHEMBL16198525

O[C@H]1CCn2c1nc1cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HTR3A P46098 1/20 0.44
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
KMT2A Q03164 1/20 0.38
CYP11B2 P19099 1/20 0.37
BACE1 P56817 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NUDT1 P36639 1/20 0.37
PIK3CD O00329 1/20 0.36
AVPR1A P37288 1/20 0.36
TBXA2R P21731 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
SCHEMBL20865760 0.88 BCHE (0.47) BCHEACHEHTR3AKMT2ACYP11B2
SCHEMBL830534 0.82 ACHE (0.47) BCHEACHEKMT2AHRH3
SCHEMBL28573718 0.82 HTR3A (0.44) HTR3APIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL833240 0.76 MAPT (0.52) BCHEACHEPIK3CAPIK3CBPIK3CG
SCHEMBL17531769 0.73 CYP11B2 (0.40) HTR3APIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL16198209 0.71 ALDH1A1 (0.38) KMT2ABACE1NUDT1TBXA2R
SCHEMBL16208380 0.71 ALDH1A1 (0.38) KMT2ABACE1NUDT1TBXA2R
SCHEMBL28915375 0.70 HTR3A (0.44) HTR3AKMT2ACYP11B2HRH3
SCHEMBL27407454 0.70 HTR3A (0.44) HTR3AKMT2ACYP11B2HRH3
SCHEMBL8810696 0.69 BCHE (0.52) BCHEACHEKMT2A

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
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO disclosed