SCHEMBL6580888

SCHEMBL6580888

Cc1c(NCC2CCN(C(=O)CNc3ccccc3Cl)CC2)ccnc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.43
CRHR1 P34998 2/20 0.42
GRIN2B Q13224 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6586267 0.84 SCD (0.51) SCDGRIN2BEPHX2
SCHEMBL6582862 0.80 SCD (0.43) SCDGRIN2BEPHX2
SCHEMBL6582929 0.78 KDM4E (0.49) GRIN2B
SCHEMBL6582682 0.77 GRIN2B (0.38) SCDCRHR1GRIN2B
SCHEMBL5409925 0.77 GRIN2B (0.55) SCDGRIN2BEPHX2
SCHEMBL5399467 0.76 GRIN2B (0.58) SCDGRIN2BEPHX2
SCHEMBL5406606 0.75 SCD (0.44) SCDEPHX2
SCHEMBL5412796 0.74 SCD (0.45) SCDGRIN2BEPHX2
SCHEMBL6580878 0.73 SCD (0.44) SCD
SCHEMBL1230300 0.72 SCD (0.51) SCDGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed