SCHEMBL7002874

SCHEMBL7002874

N=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 1.00
KCNH2 Q12809 1/20 0.50
KLK1 P06870 1/20 0.44

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
SCHEMBL6697452 0.93 F10 (0.87) F10KCNH2KLK1
SCHEMBL6692670 0.91 F10 (0.87) F10KCNH2
SCHEMBL6697421 0.91 F10 (0.87) F10KCNH2
SCHEMBL6698359 0.91 F10 (0.85) F10KCNH2KLK1
SCHEMBL6700862 0.90 F10 (0.82) F10KCNH2KLK1
SCHEMBL6697112 0.86 F10 (0.79) F10KCNH2KLK1
SCHEMBL6698435 0.86 F10 (0.75) F10KCNH2KLK1
SCHEMBL6698438 0.86 F10 (0.75) F10KCNH2KLK1
SCHEMBL7006197 0.86 F10 (0.74) F10KCNH2
SCHEMBL6703106 0.84 F10 (0.86) F10KCNH2KLK1

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-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 WO disclosed