SCHEMBL6137546

SCHEMBL6137546

NC(=NC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1)NCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 19/20 0.53
CYP3A4 P08684 6/20 0.53
CYP2C19 P33261 6/20 0.53
CYP2C9 P11712 6/20 0.51
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7985443 0.88 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL6137374 0.86 SLC9A1 (0.73) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7988906 0.86 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7985442 0.84 SLC9A1 (0.53) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL6137426 0.84 SLC9A1 (0.71) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7985439 0.76 NPY2R (0.46) SLC9A1CYP3A4CYP2C19CYP2C9MEN1
SCHEMBL6137337 0.76 MEN1 (0.43) SLC9A1CYP3A4CYP2C19CYP2C9MEN1
SCHEMBL6137414 0.75 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C19CYP2C9MEN1
SCHEMBL7985451 0.74 ALDH1A1 (0.54) SLC9A1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL27488942 0.73 SLC9A1 (0.52) SLC9A1CYP3A4CYP2C19CYP2C9CYP2D6

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 3 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 claimed
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 claimed
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