SCHEMBL5099121

SCHEMBL5099121

CC(=N)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C(=N)N)ccc3CC(=O)C(=O)O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 7/20 1.00
PRSS1 P07477 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
Trifluoroacetic Acid SCHEMBL3894473 0.96 F10 (0.93) F10F2PRSS1
SCHEMBL14132248 0.94 F10 (0.88) F10F2
SCHEMBL14145404 0.91 F10 (0.83) F10F2PRSS1
SCHEMBL14132033 0.87 F10 (0.77) F10F2
SCHEMBL14131890 0.85 F10 (1.00) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6873840 0.84 F10 (0.76) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7568684 0.84 F10 (0.80) F10F2PRSS1
SCHEMBL14132194 0.82 F10 (1.00) F10F2PRSS1
SCHEMBL14132315 0.82 F10 (1.00) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6765933 0.81 F10 (0.68) F10F2

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
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US claimed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed