SCHEMBL17237646

SCHEMBL17237646

CN(C)Cc1cc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C(=N)N)cc3)C2=O)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.70
F2 P00734 4/20 0.35
F7 P08709 1/20 0.35
HPN P05981 2/20 0.34
PLAU P00749 1/20 0.34
F10 P00742 2/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL17237632 0.93 F9 (0.74) F9F2F7HPNPLAU
SCHEMBL1949848 0.89 F9 (0.75) F9HPNPLAUF10
SCHEMBL1948300 0.88 F9 (0.69) F9F2F7HPNPLAU
SCHEMBL17237652 0.88 F9 (0.79) F9F2F7
SCHEMBL17237649 0.86 F9 (0.74) F9F2F10
SCHEMBL1946894 0.86 F9 (0.71) F9F2HPNPLAUF10
SCHEMBL1947641 0.85 F9 (0.74) F9F2HPNPLAUF10
SCHEMBL1946721 0.84 F9 (0.82) F9F2HPNFPR2
SCHEMBL1949010 0.84 F9 (0.81) F9F2F7HPNPLAU
SCHEMBL1945800 0.84 F9 (0.68) F9F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed