SCHEMBL7388576

SCHEMBL7388576

N=C(N)c1ccc(N2CC(CN3CCN(C(=O)c4cccnc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.46
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
PRSS1 P07477 5/20 0.44
PRSS2 P07478 5/20 0.44
PRSS3 P35030 5/20 0.44
F10 P00742 4/20 0.44
F2 P00734 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7387212 0.86 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7385957 0.85 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7388450 0.85 KMT2A (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7388887 0.84 LMNA (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7392348 0.83 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7384950 0.81 FABP6 (0.46) FABP6ITGB3ITGA2BMAPK1KDM4E
SCHEMBL7385750 0.81 SIGMAR1 (0.54) ALDH1A1KMT2A
SCHEMBL7384777 0.81 MEN1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27541049 0.81 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7386103 0.80 SIGMAR1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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