SCHEMBL17488166

SCHEMBL17488166

COC(c1ccc(C#N)cc1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2B P18089 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 4/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL15705100 0.82 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4LMNACHRM2
SCHEMBL12925888 0.81 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4LMNACHRM2
SCHEMBL18965803 0.79 TSHR (0.48) CYP19A1FNTAFNTBPGGT1BHTT
SCHEMBL15866163 0.78 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4LMNACHRM2
SCHEMBL7385564 0.78 CYP2A6 (0.46) CYP2C19GAACYP19A1HTTKDM4E
SCHEMBL17488165 0.76 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4MEN1GAA
SCHEMBL9168089 0.76 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4CHRM2ADRA2B
SCHEMBL17488161 0.76 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4LMNACHRM2
SCHEMBL10363179 0.72 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4LMNACHRM2
SCHEMBL10363180 0.72 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4LMNACHRM2

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed