SCHEMBL6428840

SCHEMBL6428840

c1ccc2[nH]c(N3CCC(c4c[nH]cn4)CC3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.60
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
HTR3A P46098 1/20 0.53
TP53 P04637 3/20 0.52
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
SORD Q00796 1/20 0.46
DRD4 P21917 1/20 0.45
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL22481379 0.77 TRPC3 (0.75) TRPC3BCHEACHEHTR3ATP53
SCHEMBL7848240 0.76 TRPC3 (0.73) TRPC3BCHEACHEHTR3ATP53
SCHEMBL13450331 0.76 TRPC3 (1.00) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2674037 0.73 BCHE (0.90) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2676103 0.73 BCHE (0.96) TRPC3BCHEACHEHTR3ATP53
SCHEMBL5309716 0.72 BCHE (0.71) TRPC3BCHEACHEHTR3ATP53
SCHEMBL9369695 0.72 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL4713162 0.72 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL717865 0.72 BCHE (1.00) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2241920 0.72 BCHE (1.00) TRPC3BCHEACHEHTR3ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235565-B1 USE OF 5HT 3 AGONISTS FOR RELAXING THE FUNDUS JANSSEN PHARMACEUTICA NV (BE) 2005-12-28 EP disclosed
US-20050209270-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN LOUISE G 2005-09-22 US disclosed
US-20050119297-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN L G (BE) 2005-06-02 US disclosed