SCHEMBL7422648

SCHEMBL7422648

N=C(N)c1ccc(N2CC(CN3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4N)CC3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
F10 P00742 6/20 0.42
SIGMAR1 Q99720 7/20 0.41
F2 P00734 1/20 0.39
GRM2 Q14416 2/20 0.39
GCK P35557 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
SCHEMBL27541054 0.89 F10 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7387547 0.89 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27516010 0.87 HTT (0.47) ITGB3ITGA2BSIGMAR1GRM2GCK
SCHEMBL7389816 0.85 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27517334 0.84 KMT2A (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7385817 0.83 POLB (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7386899 0.83 F10 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7388174 0.81 SIGMAR1 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7384096 0.81 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27566325 0.81 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281451-A Benzamidine derivatives MERCK PATENT GMBH (DE) 2001-01-24 CN disclosed
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed