SCHEMBL7386374

SCHEMBL7386374

Cc1ccc(OCC(O)COc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.56
F2 P00734 7/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
PLG P00747 1/20 0.56
C1S P09871 1/20 0.56

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
SCHEMBL7387777 0.89 PRSS1 (0.63) PRSS1F2PRSS2PRSS3PLG
SCHEMBL7388981 0.89 PRSS1 (0.70) PRSS1F2PRSS2PRSS3PLG
SCHEMBL7389290 0.86 PRSS1 (0.56) PRSS1F2PRSS2PRSS3PLG
SCHEMBL14599541 0.81 PRSS1 (0.68) PRSS1F2PRSS2PRSS3PLG
SCHEMBL7390198 0.79 PRSS1 (0.48) PRSS1F2PRSS2PRSS3PLG
SCHEMBL17212342 0.77 ATM (0.61)
SCHEMBL14189198 0.77 USP2 (0.68)
SCHEMBL7381578 0.76 F2 (0.58) PRSS1F2PRSS2PRSS3PLG
SCHEMBL10922740 0.74 ADRB2 (0.71)
SCHEMBL12348321 0.74 PRSS1 (0.77) PRSS1F2PRSS2PRSS3PLG

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