SCHEMBL13148232

SCHEMBL13148232

Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1

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 0.71

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 SCHEMBL2907643 0.99 CCR2 (0.98) CCR2CCR5
Iodide SCHEMBL17555146 0.99 CCR2 (0.98) CCR2CCR5
SCHEMBL13148264 0.89 CCR2 (1.00) CCR2CCR5
SCHEMBL13148149 0.88 CCR2 (1.00) CCR2CCR5
SCHEMBL13148155 0.88 CCR2 (1.00) CCR2CCR5
Hydrochloric Acid SCHEMBL313194 0.88 CCR2 (0.98) CCR2CCR5
Iodide SCHEMBL17555134 0.88 CCR2 (0.98) CCR2CCR5
SCHEMBL3076805 0.88 CCR2 (1.00) CCR2CCR5
Hydrochloric Acid SCHEMBL2906546 0.88 CCR2 (0.98) CCR2CCR5
Iodide SCHEMBL17555085 0.88 CCR2 (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed