SCHEMBL7386103

SCHEMBL7386103

N=C(N)c1ccc(N2CC(CN3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.52
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
LIPE Q05469 2/20 0.45
LSS P48449 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
PRSS1 P07477 4/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
F10 P00742 3/20 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
SCHEMBL7387646 0.86 SIGMAR1 (0.51) SIGMAR1ITGB3ITGA2BLIPEPRSS1
SCHEMBL7385957 0.84 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7388887 0.82 LMNA (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7387996 0.82 SIGMAR1 (0.49) SIGMAR1ITGB3ITGA2BLSS
SCHEMBL7388450 0.81 KMT2A (0.46) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7068862 0.81 GRM2 (0.57) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7392348 0.81 ITGB3 (0.46) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7387212 0.81 ITGB3 (0.46) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7388576 0.80 FABP6 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7385750 0.80 SIGMAR1 (0.54) SIGMAR1

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