SCHEMBL7367913

SCHEMBL7367913

N=C(N)c1ccc2c(c1)ncn2CC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 1.00
PRSS1 P07477 6/20 0.64
F10 P00742 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.49
MGLL Q99685 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7364521 0.93 F2 (0.86) F2PRSS1F10SMN1; SMN2LMNA
SCHEMBL7365097 0.83 F2 (1.00) F2PRSS1F10
SCHEMBL7360128 0.82 F2 (0.69) F2PRSS1SMN1; SMN2MGLLLMNA
SCHEMBL7396115 0.79 F2 (0.73) F2PRSS1F10LMNAALDH1A1
SCHEMBL8031092 0.79 F2 (1.00) F2PRSS1F10
SCHEMBL8029406 0.77 F2 (0.72) F2PRSS1F10ALDH1A1
SCHEMBL7367336 0.76 F2 (0.61) F2SMN1; SMN2MGLLLMNAALDH1A1
SCHEMBL7362115 0.76 F2 (0.82) F2PRSS1F10
SCHEMBL7369986 0.76 MGLL (0.61) F2PRSS1F10MGLL
SCHEMBL7368689 0.75 F2 (0.60) F2PRSS1F10LMNA

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