SCHEMBL7990987

SCHEMBL7990987

O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 1.00
CACNA1F O60840 1/20 0.68
CACNA1D Q01668 1/20 0.68
CACNA1S Q13698 1/20 0.68
CACNA1C Q13936 1/20 0.68
ARG1 P05089 1/20 0.58

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
SCHEMBL7990985 1.00 CCR5 (1.00) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7495818 0.95 CCR5 (0.90) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7990257 0.95 CCR5 (0.90) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7723283 0.86 CCR5 (1.00) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7723285 0.86 CCR5 (1.00) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7986444 0.86 CCR5 (1.00) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7986440 0.86 CCR5 (1.00) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7733745 0.84 CCR5 (0.91) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7733748 0.84 CCR5 (0.91) CCR5CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7984393 0.83 CCR5 (0.84) CCR5CACNA1FCACNA1DCACNA1SCACNA1C

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-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed