SCHEMBL15085687

SCHEMBL15085687

O=C(NCC(=O)N1CCC(CCN2CCCC2)CC1)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.52
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL15104073 0.91 CCR2 (0.44) CCR2
SCHEMBL15104012 0.89 CCR2 (0.44) CCR2
SCHEMBL3277546 0.88 CCR2 (0.47) CCR2
SCHEMBL15104075 0.88 CCR2 (0.53) CCR2
SCHEMBL3281457 0.88 CCR2 (0.53) CCR2
SCHEMBL15103930 0.88 CCR2 (0.47) CCR2KCNH2
SCHEMBL15103825 0.88 CCR2 (0.45) CCR2
SCHEMBL15104149 0.84 CACNA1H (0.47)
SCHEMBL15103781 0.84 CACNA1H (0.47)
Hydrochloric Acid SCHEMBL3274971 0.83 CCR2 (0.45) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481527-B2 Benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT. (HU) 2013-07-09 US claimed
EP-2076491-B1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-07-17 EP disclosed