SCHEMBL7434637

SCHEMBL7434637

COC(=O)CCc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccc(C(=N)N)cc12

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.85
PRSS1 P07477 4/20 0.85
F10 P00742 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL8031092 0.86 F2 (1.00) F2PRSS1F10KDM4EMEN1
SCHEMBL8035205 0.85 F2 (0.62) F2PRSS1ALDH1A1TACR1
SCHEMBL7396115 0.83 F2 (0.73) F2PRSS1F10KDM4EMEN1
SCHEMBL7367313 0.82 F2 (1.00) F2PRSS1F10KDM4EMEN1
SCHEMBL7367315 0.82 F2 (1.00) F2PRSS1F10KDM4EMEN1
SCHEMBL8029406 0.80 F2 (0.72) F2PRSS1F10KDM4EALDH1A1
SCHEMBL7363325 0.78 F2 (0.58) F2PRSS1F10KDM4EMEN1
SCHEMBL7365097 0.76 F2 (1.00) F2PRSS1F10RAB9A
SCHEMBL7367913 0.74 F2 (1.00) F2PRSS1F10ALDH1A1
SCHEMBL7364521 0.73 F2 (0.86) F2PRSS1F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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