SCHEMBL8317319

SCHEMBL8317319

COCOc1ccc(C(CN)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.40
HTR2A P28223 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PDE4D Q08499 2/20 0.39
AKT2 P31751 1/20 0.39
AKT1 P31749 1/20 0.39
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TBXAS1 P24557 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
SCHEMBL9311940 0.90 HRH1 (0.42) KCNA5PDE4DCFTRSLC6A2SLC6A4
SCHEMBL8319920 0.84 PDE4D (0.48) KCNA5PDE4DFFAR1TBXAS1
SCHEMBL8317214 0.83 PBRM1 (0.42) KCNA5PDE4DCFTRSLC6A2SLC6A4
SCHEMBL8313802 0.83 FFAR1 (0.53) KCNA5PDE4DFFAR1TBXAS1
SCHEMBL9312935 0.83 PDE4D (0.40) KCNA5PDE4DCFTRSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL8317322 0.81 TBXAS1 (0.44) KCNA5CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL8318114 0.81 SMN1; SMN2 (0.57) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL9311679 0.81 ITGB3 (0.43) KCNA5SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5307787 0.79 HTR2A (0.64) KCNA5HTR2ATAAR1AKT2AKT1
SCHEMBL4196224 0.79 CFTR (0.57) KCNA5HTR2ATAAR1AKT1CFTR

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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed