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SCHEMBL4472975

SCHEMBL4472975

CC(C)[C@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1.O=C(O)N[C@@H]1CC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 16/20 0.52
▸ CCR5 P51681 14/20 0.52
▸ POLB P06746 1/20 0.47

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
SCHEMBL18901609 0.86 POLB (0.61) POLB
SCHEMBL13361837 0.85 CCR2 (0.70) CCR2CCR5
SCHEMBL13334915 0.85 CCR2 (0.70) CCR2CCR5
SCHEMBL4161857 0.81 POLB (0.69) POLB
SCHEMBL3331213 0.81 CCR2 (0.75) CCR2CCR5
SCHEMBL13361941 0.75 CCR2 (0.66) CCR2CCR5
SCHEMBL13334968 0.75 CCR2 (0.66) CCR2CCR5
SCHEMBL18901678 0.75 CCR2 (0.44) CCR2POLB
SCHEMBL13613090 0.73 POLB (0.55) CCR2POLB
SCHEMBL13758488 0.73 POLB (0.55) CCR2POLB

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-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
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