SCHEMBL6137218

SCHEMBL6137218

N=C(NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(C(F)(F)F)c1)N(CS(=O)(=O)O)CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.40
NPY2R P49146 1/20 0.40
CASP6 P55212 1/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 1/20 0.38
SLC9A1 P19634 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6137581 0.83 L3MBTL1 (0.42) SLC6A7NPY2RCYP2C19CYP2D6CYP3A4
SCHEMBL7982405 0.76 KMT2A (0.53) SLC6A7NPY2RCYP2C19MEN1KMT2A
SCHEMBL7985439 0.73 NPY2R (0.46) NPY2RCYP2C19MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6137232 0.73 NPY2R (0.55) NPY2RCYP2C19MEN1KMT2ACYP3A4
SCHEMBL6137414 0.71 SLC9A1 (0.48) NPY2RCYP2C19MEN1KMT2ACYP3A4
SCHEMBL6137337 0.71 MEN1 (0.43) NPY2RCYP2C19MEN1KMT2ACYP3A4
SCHEMBL27488943 0.71 SLC9A1 (0.45) NPY2RCYP2C19HPGDCYP3A4SLC9A1
Sabiporide SCHEMBL5950959 0.69 SLC9A1 (0.65) NPY2RCYP2C19CYP3A4SLC9A1
SCHEMBL27522789 0.68 ALDH1A1 (0.51) CYP2C19MEN1KMT2AHPGDCYP3A4
SCHEMBL6137505 0.68 SLC9A1 (0.42) NPY2RCYP2C19HPGDCYP3A4SLC9A1

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
EP-1165534-B1 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-02-02 EP disclosed
EP-1165534-A2 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-01-02 EP disclosed
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US disclosed
WO-2000017176-A2 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-30 WO disclosed