SCHEMBL7542224

SCHEMBL7542224

CCn1ncc(Cc2ccccc2)c1C1CCN(CC2CN(C3(CC(=O)O)CCCCC3)CC2c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.68
ARG1 P05089 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
SCHEMBL7548515 0.94 CCR5 (0.68) CCR5
SCHEMBL7543468 0.85 CCR5 (0.67) CCR5ARG1
SCHEMBL7552170 0.83 CCR5 (0.67) CCR5ARG1
SCHEMBL7552165 0.83 CCR5 (0.67) CCR5ARG1
SCHEMBL7546511 0.82 CCR5 (0.61) CCR5ARG1
SCHEMBL7500736 0.82 CCR5 (0.65) CCR5
SCHEMBL7496986 0.81 CCR5 (0.66) CCR5
SCHEMBL7542220 0.81 CCR5 (1.00) CCR5
SCHEMBL7543691 0.80 CCR5 (0.66) CCR5ARG1
SCHEMBL7495059 0.79 CCR5 (0.66) 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-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed