SCHEMBL8426328

SCHEMBL8426328

COc1cc(C(F)(F)F)cc(C(=O)N=C(N)N)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.46
MC4R P32245 1/20 0.39
KCNH2 Q12809 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
Hydrochloric Acid SCHEMBL8340429 0.99 SLC9A1 (0.45) SLC9A1MC4RKCNH2GPR35
Hydrochloric Acid SCHEMBL8116543 0.84 SLC9A1 (0.46) SLC9A1
SCHEMBL8428554 0.83 SLC9A1 (0.44) SLC9A1KCNH2
Hydrochloric Acid SCHEMBL8333010 0.82 SLC9A1 (0.43) SLC9A1KCNH2
SCHEMBL8116935 0.81 SLC9A1 (0.50) SLC9A1
SCHEMBL8428569 0.80 SLC9A1 (0.40) SLC9A1KCNH2
Hydrochloric Acid SCHEMBL8102758 0.80 SLC9A1 (0.49) SLC9A1
SCHEMBL8430500 0.79 SLC9A1 (0.42) SLC9A1KCNH2GPR35
Hydrochloric Acid SCHEMBL8336183 0.78 SLC9A1 (0.39) SLC9A1KCNH2
SCHEMBL8428606 0.78 SLC9A1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791577-B1 Ortho-substituted benzylguanidines, process for their preparation and their use as medicament or diagnostic agent as well as medicament containing them HOECHST AG (DE) 1999-11-03 EP claimed