SCHEMBL7389682

SCHEMBL7389682

N=C(N)c1ccc(N2CC(CN3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.44
SIGMAR1 Q99720 9/20 0.43
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
CHRM1 P11229 1/20 0.42
PRSS1 P07477 5/20 0.40
PRSS2 P07478 5/20 0.40
PRSS3 P35030 5/20 0.40
F10 P00742 4/20 0.40
KDM2B Q8NHM5 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL7388174 0.89 SIGMAR1 (0.42) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL27517334 0.87 KMT2A (0.47) LIPESIGMAR1ITGB3ITGA2BPRSS1
SCHEMBL7389816 0.86 ITGB3 (0.45) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7387646 0.86 SIGMAR1 (0.51) LIPESIGMAR1ITGB3ITGA2BPRSS1
SCHEMBL7390332 0.84 ITGB3 (0.46) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7381694 0.82 KDM4E (0.44) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL27541054 0.81 F10 (0.44) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7390212 0.81 P2RX3 (0.43) LIPESIGMAR1CHRM1KDM2B
SCHEMBL7422648 0.81 ITGB3 (0.42) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7384096 0.81 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2

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