SCHEMBL7365097

SCHEMBL7365097

N=C(N)c1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 1.00
PRSS1 P07477 4/20 0.66
PLAU P00749 4/20 0.50
PLG P00747 3/20 0.50
F10 P00742 1/20 0.50
ACHE P22303 1/20 0.47
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL7362115 0.90 F2 (0.82) F2PRSS1PLAUPLGF10
SCHEMBL7365576 0.90 F2 (1.00) F2PRSS1PLAUPLGF10
SCHEMBL7363988 0.87 F2 (1.00) F2PRSS1PLAUPLG
SCHEMBL7366569 0.85 F2 (0.74) F2PRSS1PLAUPLGF10
SCHEMBL7367913 0.83 F2 (1.00) F2PRSS1F10
SCHEMBL7362114 0.82 F2 (0.69) F2PRSS1F10SIGMAR1
SCHEMBL7359608 0.81 F2 (0.68) F2PRSS1SIGMAR1
SCHEMBL7364521 0.81 F2 (0.86) F2PRSS1F10
SCHEMBL8031092 0.81 F2 (1.00) F2PRSS1F10RAB9A
SCHEMBL7396115 0.79 F2 (0.73) F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP claimed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO claimed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed