SCHEMBL7359608

SCHEMBL7359608

N#Cc1ccc2c(ccn2CC(=O)N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.68
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
PRSS1 P07477 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
CCR3 P51677 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
SCHEMBL8029375 0.87 F2 (0.70) F2MGLLALDH1A1HPGDTSHR
SCHEMBL8029392 0.85 F2 (0.52) F2MGLLALDH1A1HPGDTSHR
SCHEMBL7368341 0.84 MGLL (0.55) F2MGLLKMT2AMEN1CCR3
SCHEMBL7360128 0.82 F2 (0.69) F2MGLLALDH1A1HTTPRSS1
SCHEMBL7365097 0.81 F2 (1.00) F2PRSS1SIGMAR1
SCHEMBL7367336 0.80 F2 (0.61) F2MGLLALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL7367289 0.79 ALDH1A1 (0.47) F2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL8029555 0.78 F2 (0.53) F2MGLLALDH1A1KDM4EHTT
SCHEMBL7359604 0.76 MGLL (0.53) MGLLCCR3
SCHEMBL7365856 0.76 F2 (0.51) F2ALDH1A1HPGDTSHRHSD17B10

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