SCHEMBL8939669

SCHEMBL8939669

CN[C@H](Cc1ccccc1)C(=O)N1CCCCC1C(=O)NCCCC(NC(=N)N)C(=O)c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.54
PRKD3 O94806 2/20 0.44
F10 P00742 2/20 0.44
PLAU P00749 2/20 0.44
PLAT P00750 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
F7 P08709 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCZ Q05513 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKD1 Q15139 2/20 0.44
PRSS1 P07477 2/20 0.43
TPSAB1 Q15661 2/20 0.43

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
SCHEMBL514966 0.92 F2 (0.59) F2PRKD3F10PLAUPLAT
SCHEMBL24115255 0.84 F2 (0.56) F2F10PRSS1TPSAB1
SCHEMBL514967 0.84 F2 (0.60) F2PRKD3F10PLAUPLAT
SCHEMBL30171117 0.83 F2 (0.76) F2PRKD3F10PLAUPLAT
SCHEMBL5862705 0.83 F2 (0.58) F2PRSS1TPSAB1
SCHEMBL7536130 0.83 F2 (0.58) F2PRSS1TPSAB1
SCHEMBL24131464 0.81 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24131389 0.81 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24131608 0.81 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24115250 0.81 F2 (0.59) F2PRSS1TPSAB1

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
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed