SCHEMBL4064045

SCHEMBL4064045

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NN

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.61
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
REN P00797 4/20 0.43
LAP3 P28838 3/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
CSNK1E P49674 1/20 0.41
ENPEP Q07075 1/20 0.39

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
SCHEMBL6169670 1.00 CCR1 (0.61) CCR1KDM4EMAPTRENLAP3
SCHEMBL4064275 0.91 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6832278 0.91 CCR1 (0.58) CCR1RENLAP3ANPEPRNPEP
SCHEMBL7591156 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4058726 0.89 CCR1 (0.50) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6675017 0.89 CCR1 (0.61) CCR1RENLAP3ANPEPRNPEP
Hydroxyamine SCHEMBL6688642 0.89 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL6167499 0.87 CCR1 (0.57) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4066974 0.85 CCR1 (0.49) CCR1RENLAP3ANPEPRNPEP
SCHEMBL4068003 0.84 CCR1 (0.58) CCR1MAPT

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-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