SCHEMBL4389912

SCHEMBL4389912

CC(O)(CC[C@H](C[C@@H](O)[CH]Cc1cc(F)cc(F)c1)C(N)=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.35
CHRM2 P08172 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL4071145 0.91 CCR1 (0.34) CCR1CHRM2CCR5
SCHEMBL3825742 0.89 CCR1 (0.44) CCR1CHRM2CCR5
SCHEMBL4062768 0.89 FCER2 (0.32) CCR1CHRM2CCR5
SCHEMBL2675741 0.89 CCR1 (0.44) CCR1CHRM2CCR5
SCHEMBL2677146 0.86 RIPK1 (0.33) CCR1CHRM2CCR5
SCHEMBL2675071 0.84 CCR1 (0.40) CCR1CHRM2CCR5
SCHEMBL2675451 0.81 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL2676714 0.81 HTR3E (0.35) CCR1CHRM2CCR5
SCHEMBL4072277 0.81 FCER2 (0.32) CCR1
SCHEMBL4067308 0.81 FCER2 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed