SCHEMBL7388981

SCHEMBL7388981

N=C(N)c1cccc(OCC(O)COc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.70
F2 P00734 7/20 0.70
PLG P00747 1/20 0.70
PRSS2 P07478 1/20 0.70
C1S P09871 1/20 0.70
PRSS3 P35030 1/20 0.70
F10 P00742 2/20 0.60

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) PRSS1F2PLGPRSS2C1S
SCHEMBL7389290 0.89 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL7386374 0.89 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL14599541 0.85 PRSS1 (0.68) PRSS1F2PLGPRSS2C1S
SCHEMBL10072400 0.82 TSHR (0.61)
SCHEMBL7390198 0.81 PRSS1 (0.48) PRSS1F2PLGPRSS2C1S
SCHEMBL7381578 0.81 F2 (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL12348321 0.79 PRSS1 (0.77) PRSS1F2PLGPRSS2C1S
SCHEMBL8255981 0.78 F2 (0.88) PRSS1F2PLGPRSS2C1S
SCHEMBL267463 0.78 LMNA (0.68)

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