SCHEMBL6687327

SCHEMBL6687327

CN(C)C(c1[c]cccc1)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL3810567 0.70 MEN1 (0.35)
SCHEMBL2577959 0.70 MEN1 (0.35)
SCHEMBL28808832 0.68
SCHEMBL2649990 0.68 SLC6A2 (0.41) TSHR
SCHEMBL6686063 0.68 CHRM2 (0.30)
SCHEMBL7449527 0.66 KCNA5 (0.39) TSHR
SCHEMBL7447412 0.66 KCNA5 (0.42) TSHR
SCHEMBL7447627 0.65 KCNA5 (0.45) TSHR
SCHEMBL96104 0.64
SCHEMBL4433093 0.64

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