SCHEMBL7495708

SCHEMBL7495708

O=C(O)[C@@H](CC1CCCC1)N1CC(CO)C(c2cccc(F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.62
KCNH2 Q12809 1/20 0.56

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
SCHEMBL7987257 1.00 CCR5 (0.62) CCR5KCNH2
SCHEMBL7987259 1.00 CCR5 (0.62) CCR5KCNH2
SCHEMBL7494907 0.96 CCR5 (0.63) CCR5
SCHEMBL7987160 0.96 CCR5 (0.63) CCR5
SCHEMBL7987157 0.96 CCR5 (0.63) CCR5
SCHEMBL7663496 0.86 CCR5 (0.62) CCR5
SCHEMBL7496702 0.86 CCR5 (0.62) CCR5
SCHEMBL7972685 0.86 CCR5 (0.62) CCR5
SCHEMBL7972687 0.86 CCR5 (0.62) CCR5
SCHEMBL7663490 0.86 CCR5 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed