SCHEMBL7931947

SCHEMBL7931947

O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00

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
SCHEMBL7931945 1.00 CCR5 (1.00) CCR5
SCHEMBL7931811 0.87 CCR5 (1.00) CCR5
SCHEMBL7931813 0.87 CCR5 (1.00) CCR5
SCHEMBL7547705 0.83 CCR5 (0.80) CCR5
SCHEMBL7938368 0.83 CCR5 (0.80) CCR5
SCHEMBL7940680 0.81 CCR5 (0.68) CCR5
SCHEMBL7940674 0.81 CCR5 (0.68) CCR5
SCHEMBL7551032 0.81 CCR5 (1.00) CCR5
SCHEMBL7551038 0.81 CCR5 (1.00) CCR5
SCHEMBL7931785 0.79 CCR5 (0.76) CCR5

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-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed