SCHEMBL993754

SCHEMBL993754

CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1Cl)NC(=O)c1cnc2ccccc2n1)C(N)=O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.82
CHRM2 P08172 1/20 0.71
CCR5 P51681 1/20 0.71

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
SCHEMBL993339 0.90 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL992432 0.89 CCR1 (0.81) CCR1CHRM2CCR5
SCHEMBL5725969 0.88 CCR1 (0.64) CCR1CHRM2CCR5
SCHEMBL9910989 0.85 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL4071787 0.84 CCR1 (0.82) CCR1
SCHEMBL993584 0.83 CCR1 (0.83) CCR1CHRM2CCR5
SCHEMBL30059121 0.83 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL995030 0.83 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL29709355 0.83 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL993077 0.81 CCR1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7887840-B2 Bioavailability of low- solubility drugs BEND RESEARCH, INC. (US) 2011-02-15 US disclosed
EP-2275091-A1 Pharmaceutical compositions comprising adsorbates of an amorphous drug Pfizer Products Inc. (US) 2011-01-19 EP disclosed