SCHEMBL14686192

SCHEMBL14686192

O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Br)cc2Cl)cc1)NCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
CCR2 P41597 4/20 0.38
CCR1 P32246 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
BRD4 O60885 1/20 0.37
KDM1A O60341 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
Hydrochloric Acid SCHEMBL3049059 0.99 PTGDR (0.40) PTGDRPTGDR2CCR2CCR1ITGB3
SCHEMBL14686183 0.92 PTGDR (0.45) PTGDRPTGDR2CCR2CCR1
Hydrochloric Acid SCHEMBL3051812 0.92 PTGDR (0.44) PTGDRPTGDR2CCR2CCR1
SCHEMBL14686142 0.88 ITGB3 (0.43) ITGB3ITGA2BKDM1A
SCHEMBL15016271 0.88 PTGDR (0.43) PTGDRPTGDR2CCR2CCR1ITGB3
Hydrochloric Acid SCHEMBL3143528 0.87 PTGDR (0.42) PTGDRPTGDR2CCR2CCR1ITGB3
SCHEMBL15016227 0.87 PTGDR (0.42) PTGDRPTGDR2CCR2CCR1ITGB3
Hydrochloric Acid SCHEMBL3144060 0.86 PTGDR (0.42) PTGDRPTGDR2CCR2CCR1ITGB3
SCHEMBL15016291 0.86 PTGDR (0.43) PTGDRPTGDR2CCR2CCR1
SCHEMBL14686223 0.85 PTGDR (0.46) PTGDRPTGDR2CCR2CCR1

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-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP claimed