SCHEMBL13148149

SCHEMBL13148149

C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)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 0.70

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 SCHEMBL2906546 0.99 CCR2 (0.98) CCR2CCR5
SCHEMBL13148190 0.91 CCR2 (0.83) CCR2CCR5
Iodide SCHEMBL17555162 0.90 CCR2 (0.81) CCR2CCR5
Iodide SCHEMBL17555088 0.90 CCR2 (0.81) CCR2CCR5
Hydrochloric Acid SCHEMBL313368 0.90 CCR2 (0.81) CCR2CCR5
Hydrochloric Acid SCHEMBL2907857 0.90 CCR2 (0.81) CCR2CCR5
SCHEMBL313432 0.89 CCR2 (0.81) CCR2CCR5
SCHEMBL13148232 0.88 CCR2 (1.00) CCR2CCR5
Iodide SCHEMBL3075475 0.88 CCR2 (0.79) CCR2CCR5
Hydrochloric Acid SCHEMBL313511 0.88 CCR2 (0.79) 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