SCHEMBL6686063

SCHEMBL6686063

CN(C)C(c1c[c]ccc1)c1ncccn1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL3477132 0.71 MEN1 (0.38)
SCHEMBL1166357 0.71 MEN1 (0.38)
SCHEMBL6687327 0.68 TSHR (0.32)
SCHEMBL95729 0.65
SCHEMBL27729555 0.64 HDAC4 (0.32)
SCHEMBL5841419 0.63 SLC6A2 (0.46) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL5755296 0.62
SCHEMBL3606073 0.62
SCHEMBL3834885 0.62
SCHEMBL3611373 0.62

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-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP disclosed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed