SCHEMBL8610122

SCHEMBL8610122

COC(=O)c1cc(OC(F)(F)F)ccc1C.Cc1ccc(OC(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CFTR P13569 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL9018694 0.94 SLC9A1 (0.44) SLC9A1
SCHEMBL2325954 0.87 NOTUM (0.46) MRGPRX4CFTRNOTUM
SCHEMBL8610216 0.85 MRGPRX4 (0.39) SLC9A1MRGPRX4CFTR
SCHEMBL8613343 0.84 CFTR (0.53) SLC9A1CFTR
SCHEMBL8614095 0.83 MRGPRX4 (0.38) SLC9A1MRGPRX4CFTR
SCHEMBL8614188 0.83 MRGPRX4 (0.40) SLC9A1MRGPRX4CFTR
SCHEMBL8611570 0.82 CFTR (0.40) MRGPRX4CFTR
SCHEMBL8612520 0.82 SLC9A1 (0.40) SLC9A1MRGPRX4
SCHEMBL8612355 0.80 TDP1 (0.47) SLC9A1MRGPRX4
SCHEMBL8612846 0.80 MRGPRX4 (0.38) MRGPRX4CFTR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed