SCHEMBL7360119

SCHEMBL7360119

N=C(N)c1ccc2c(ccn2CC(=O)N2CCN(Cc3cccc(F)c3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.75
PLAU P00749 4/20 0.55
PLG P00747 3/20 0.55
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 3/20 0.44
PPARG P37231 2/20 0.44

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
SCHEMBL7365576 0.85 F2 (1.00) F2PLAUPLG
SCHEMBL7365856 0.82 F2 (0.51) F2CYP2D6CYP2C9ALOX15TSHR
SCHEMBL7365097 0.76 F2 (1.00) F2PLAUPLG
SCHEMBL7363988 0.73 F2 (1.00) F2PLAUPLG
SCHEMBL7366569 0.73 F2 (0.74) F2PLAUPLGMEN1KMT2A
SCHEMBL30747644 0.72 ALDH1A1 (0.66) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL7369091 0.72 F2 (0.59) F2PLAUPLGKDM4E
SCHEMBL19457236 0.69 KDM4E (0.65) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL3093924 0.69 FAAH (0.70) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL7362115 0.67 F2 (0.82) F2PLAUPLG

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