SCHEMBL7985442

SCHEMBL7985442

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 17/20 0.53
CYP3A4 P08684 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP2C9 P11712 5/20 0.51
CYP2D6 P10635 2/20 0.44
NPY2R P49146 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL27488942 0.88 SLC9A1 (0.52) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL5950962 0.86 SLC9A1 (0.73) SLC9A1CYP3A4CYP2C19CYP2C9NPY2R
SCHEMBL6137546 0.84 SLC9A1 (0.53) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL6137426 0.84 SLC9A1 (0.71) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7985439 0.78 NPY2R (0.46) SLC9A1CYP3A4CYP2C19CYP2C9NPY2R
SCHEMBL7985451 0.78 ALDH1A1 (0.54) SLC9A1CYP3A4CYP2C19NPY2RMEN1
SCHEMBL6137414 0.75 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C19CYP2C9NPY2R
Sabiporide SCHEMBL27472449 0.74 SLC9A1 (0.89) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7985443 0.74 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL611261 0.73 SLC9A1 (0.74) SLC9A1

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
CN-1342153-A Benzoylguanidine derivatives having advantageous properties, method for the production thereof and use thereof for producing medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2002-03-27 CN claimed
CN-1166654-C Benzoylguanidine derivatives with advantageous properties, method for producing them and their use in production of medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-09-15 CN disclosed
CN-1342153-A Benzoylguanidine derivatives having advantageous properties, method for the production thereof and use thereof for producing medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2002-03-27 CN 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