SCHEMBL14107337

SCHEMBL14107337

COC(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.55
▸ CCR5 P51681 1/20 0.45

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
SCHEMBL14153658 1.00 CCR2 (0.55) CCR2CCR5
SCHEMBL4821868 0.85 CCR2 (0.57) CCR2CCR5
SCHEMBL14101061 0.82 CCR2 (0.47) CCR2CCR5
SCHEMBL14101155 0.79 CCR2 (0.51) CCR2CCR5
SCHEMBL14169252 0.79 CCR2 (0.51) CCR2CCR5
SCHEMBL14599220 0.76 CCR2 (0.46) CCR2CCR5
SCHEMBL14107339 0.75 CCR2 (0.36) CCR2CCR5
SCHEMBL14153558 0.75 CCR2 (0.36) CCR2CCR5
SCHEMBL13715121 0.74 PKM (0.40) CCR2
SCHEMBL14169275 0.72 CCR2 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 — — US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
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