SCHEMBL5725969

SCHEMBL5725969

CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1Cl)NC(=O)Oc1cnc2ccccc2n1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.64
CHRM2 P08172 1/20 0.56
CCR5 P51681 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
SCHEMBL5725022 0.91 CCR1 (0.78) CCR1CHRM2CCR5
SCHEMBL5724758 0.90 CCR1 (0.63) CCR1CHRM2CCR5
SCHEMBL993754 0.88 CCR1 (0.82) CCR1CHRM2CCR5
SCHEMBL5724858 0.88 CCR1 (0.65) CCR1CHRM2CCR5
SCHEMBL5726300 0.85 CCR1 (0.65) CCR1CHRM2CCR5
SCHEMBL5724722 0.85 CCR1 (0.78) CCR1CHRM2CCR5
SCHEMBL5725192 0.82 CCR1 (0.65) CCR1CHRM2CCR5
SCHEMBL5726501 0.81 CCR1 (0.67) CCR1CHRM2CCR5
SCHEMBL4068132 0.79 CCR1 (0.69) CCR1CHRM2CCR5
SCHEMBL993339 0.78 CCR1 (1.00) CCR1CHRM2CCR5

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
EP-1051405-B1 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PROD INC (US) 2006-08-23 EP claimed