SCHEMBL7004429

SCHEMBL7004429

CCOC(=O)CC1C(=O)N(Cc2ccc(C3=NC(C)CN3)cc2)CCN1S(=O)(=O)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7004661 0.91 F10 (0.46) F10
SCHEMBL6694660 0.84 F10 (0.64) F10
SCHEMBL6694664 0.83 F10 (0.46) F10ALDH1A1HTTCYP3A4GAA
SCHEMBL6695833 0.81 F10 (0.64) F10ALDH1A1HTT
SCHEMBL6695837 0.81 F10 (0.47) F10ALDH1A1HTTCYP3A4GAA
SCHEMBL6698165 0.81 F10 (0.63) F10ALDH1A1HTT
SCHEMBL6997757 0.80 F10 (0.66) F10
SCHEMBL6698819 0.74 F10 (0.68) F10
SCHEMBL7000993 0.74 F10 (0.62) F10
SCHEMBL6698826 0.73 F10 (0.48) F10

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