SCHEMBL7365964

SCHEMBL7365964

N=C(N)c1ccc2[nH]cc(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.63
TACR1 P25103 1/20 0.63
F2 P00734 11/20 0.60
PRSS1 P07477 5/20 0.57
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
F10 P00742 1/20 0.49
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRIN2B Q13224 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
SCHEMBL7363982 0.85 LMNA (0.59) TACR3TACR1F2PRSS1MEN1
SCHEMBL7365266 0.82 HTR1A (0.55) F2PRSS1MEN1KMT2AF10
SCHEMBL7367810 0.81 RAB9A (0.48) TACR3TACR1F2PRSS1F10
SCHEMBL15155707 0.80 F2 (0.51) F2PRSS1MEN1KMT2AF10
SCHEMBL7365098 0.80 F2 (0.61) TACR3F2PRSS1MEN1KMT2A
SCHEMBL7368689 0.79 F2 (0.60) F2PRSS1MEN1KMT2AF10
SCHEMBL3815254 0.79 MEN1 (0.60) TACR3TACR1F2PRSS1MEN1
SCHEMBL6918215 0.76 MEN1 (0.55) TACR3TACR1MEN1KMT2A
SCHEMBL7368234 0.76 SIGMAR1 (0.74) PRSS1F10
SCHEMBL6272376 0.76 MEN1 (0.57) TACR3TACR1MEN1KMT2A

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