SCHEMBL13148151

SCHEMBL13148151

C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
CCR5 P51681 1/20 0.83

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
Iodide SCHEMBL17555197 0.99 CCR2 (0.98) CCR2CCR5
Hydrochloric Acid SCHEMBL2908031 0.99 CCR2 (0.98) CCR2CCR5
Jnj-17166864 Cation SCHEMBL2739842 0.91 CCR2 (1.00) CCR2CCR5
Jnj-17166864 Cation SCHEMBL29395095 0.91 CCR2 (1.00) CCR2CCR5
SCHEMBL314946 0.90 CCR2 (0.82) CCR2CCR5
Jnj-17166864 Cation SCHEMBL313326 0.90 CCR2 (0.98) CCR2CCR5
Jnj-17166864 Cation SCHEMBL313761 0.90 CCR2 (0.98) CCR2CCR5
Hydrochloric Acid SCHEMBL313892 0.89 CCR2 (0.81) CCR2CCR5
SCHEMBL13148156 0.89 CCR2 (0.85) CCR2CCR5
Iodide SCHEMBL5176940 0.89 CCR2 (0.81) CCR2CCR5

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
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed