SCHEMBL4032700

SCHEMBL4032700

CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 15/20 0.55

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
SCHEMBL4031112 0.91 SLC9A3 (0.48) SLC9A3
SCHEMBL4029603 0.87 SLC9A3 (0.53) SLC9A3
SCHEMBL4032565 0.84 SLC9A3 (0.61) SLC9A3
SCHEMBL13911072 0.83 CSF1R (0.41) SLC9A3
SCHEMBL13276084 0.81 SLC9A3 (0.56) SLC9A3
SCHEMBL4025968 0.81 SLC9A3 (0.59) SLC9A3
Hydrochloric Acid SCHEMBL6497213 0.81 SLC9A3 (0.55) SLC9A3
SCHEMBL4026399 0.81 SLC9A3 (0.61) SLC9A3
SCHEMBL4032421 0.80 SLC9A3 (0.60) SLC9A3
SCHEMBL4025508 0.80 SLC9A3 (0.68) SLC9A3

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-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed