SCHEMBL7564632

SCHEMBL7564632

N=C(Cc1cccc(C(=N)N)c1)C(=O)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.47
PLAU P00749 5/20 0.47
F10 P00742 5/20 0.47
F2 P00734 4/20 0.47
ST14 Q9Y5Y6 4/20 0.47
PARP1 P09874 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SLC6A4 P31645 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
SIGMAR1 Q99720 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 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
SCHEMBL7563815 0.81 SIGMAR1 (0.50) SIGMAR1
SCHEMBL4461405 0.76 PRSS1 (0.61) PLGPLAUF10F2PRSS1
SCHEMBL7118456 0.72 PRSS1 (0.64) PLAUF10F2PRSS1PRSS2
SCHEMBL27554554 0.71 PRSS1 (0.47) PLGPLAUF10F2ST14
SCHEMBL27392418 0.69 PRSS1 (0.51) PLAUF10F2PRSS1PRSS2
SCHEMBL19990975 0.69 PRSS1 (0.65) PLGPLAUF10F2PRSS1
SCHEMBL1763270 0.69 SIGMAR1 (0.61) PARP1SIGMAR1
SCHEMBL9257484 0.68 SIGMAR1 (0.60) PARP1SIGMAR1
SCHEMBL15986678 0.68 SIGMAR1 (0.59) PARP1SIGMAR1
SCHEMBL30799020 0.68 SLC6A4 (0.58) SLC6A4SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635008-B1 PIPERAZIDES OF SUBSTITUTED PHENYLALANINE DERIVATES AS THROMBIN INHIBITORS PENTAPHARM AG (CH) 2002-09-04 EP disclosed