SCHEMBL6137505

SCHEMBL6137505

Cc1cccc(C(=O)N2CCN(c3ccc(C(=O)N(CS(=O)(=O)O)C(=N)N)cc3C(F)(F)F)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPY2R P49146 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL6137337 0.87 MEN1 (0.43) SLC9A1CYP3A4CYP2C19NPY2RHTT
SCHEMBL6137207 0.84 SLC9A1 (0.62) SLC9A1CYP3A4CYP2C19NPY2RGAA
SCHEMBL6137327 0.84 ALDH1A1 (0.47) SLC9A1CYP3A4CYP2C19POLBHTT
SCHEMBL27488943 0.81 SLC9A1 (0.45) SLC9A1CYP3A4CYP2C19NPY2RPOLB
SCHEMBL7985443 0.78 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C19NPY2R
SCHEMBL7982517 0.76 RBP4 (0.54) SLC9A1CYP3A4CYP2C19NPY2RPOLB
SCHEMBL27488942 0.74 SLC9A1 (0.52) SLC9A1CYP3A4CYP2C19NPY2R
SCHEMBL8767676 0.71 CES2 (0.47) POLBGAA
SCHEMBL7061443 0.70 SLC9A1 (0.57) SLC9A1POLBHPGDGAAMAPT
Hydrochloric Acid SCHEMBL6137329 0.69 NPY2R (0.51) SLC9A1CYP3A4CYP2C19NPY2RPOLB

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