SCHEMBL7342452

SCHEMBL7342452

C[C@H]1CNCC[C@H]1N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.50
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HRH3 Q9Y5N1 6/20 0.42
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
DPP4 P27487 1/20 0.40
CHEK1 O14757 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PARP1 P09874 3/20 0.37
PARP2 Q9UGN5 3/20 0.37
KHK P50053 1/20 0.36
KCNH2 Q12809 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
SCHEMBL7342460 1.00 SLC18A3 (0.50) SLC18A3KDM4ETP53HRH3CHRNA10
SCHEMBL7342448 1.00 SLC18A3 (0.50) SLC18A3KDM4ETP53HRH3CHRNA10
Acetic Acid SCHEMBL8003545 0.74 ITGB3 (0.50) SLC18A3
SCHEMBL5800431 0.74 KDM4E (0.61) KDM4ETP53HRH3CHRNA10CHRNA9
Acetic Acid SCHEMBL7080071 0.73 SLC18A3 (0.46) SLC18A3KDM4EKHK
SCHEMBL2384959 0.72 KDM4E (0.80) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL1748901 0.72 KDM4E (0.58) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL7341544 0.72 SLC18A3 (0.58) SLC18A3HRH3
SCHEMBL7341548 0.72 SLC18A3 (0.58) SLC18A3HRH3
SCHEMBL7341559 0.72 SLC18A3 (0.58) SLC18A3HRH3

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-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed