SCHEMBL7368341

SCHEMBL7368341

N#Cc1ccc2c(ccn2C(=O)N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.55
F2 P00734 1/20 0.48
CCR3 P51677 6/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
FAAH O00519 2/20 0.46
HTR2A P28223 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL7359608 0.84 F2 (0.68) MGLLF2CCR3MEN1KMT2A
SCHEMBL14559801 0.83 FAAH (0.57) MGLLKCNH2HRH3FAAHL3MBTL1
SCHEMBL7359604 0.82 MGLL (0.53) MGLLCCR3KCNH2HRH3FAAH
SCHEMBL7233081 0.74 HTT (0.65) MGLLCCR3MEN1KMT2A
SCHEMBL1063488 0.74 MGLL (0.62) MGLLF2MEN1KMT2A
SCHEMBL7370469 0.73 TP53 (0.59) MGLLCCR3MEN1KMT2A
SCHEMBL6397917 0.73 MGLL (0.66) MGLLCCR3FAAHHTR2A
SCHEMBL7167258 0.72 KDM4E (0.45) L3MBTL1MEN1KMT2A
SCHEMBL7360128 0.72 F2 (0.69) MGLLF2CCR3MEN1KMT2A
SCHEMBL14570741 0.71 MGLL (0.56) MGLLF2MEN1KMT2A

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