SCHEMBL4071571

SCHEMBL4071571

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.49
REN P00797 3/20 0.45
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LAP3 P28838 3/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4068098 0.91 CCR1 (0.49) CCR1RENANPEPERAP2ERAP1
SCHEMBL4071320 0.91 CCR1 (0.48) CCR1RENANPEPLAP3RNPEP
SCHEMBL4068003 0.91 CCR1 (0.58) CCR1ALDH1A1CYP3A4
SCHEMBL4060474 0.90 CCR1 (0.47) CCR1RENANPEPERAP2ERAP1
SCHEMBL4071798 0.87 KMT2A (0.50) CCR1RENANPEPLAP3RNPEP
SCHEMBL4063495 0.86 CA2 (0.52) CCR1
SCHEMBL4070822 0.85 ADAM17 (0.47) CCR1RENANPEPLAP3RNPEP
SCHEMBL4066448 0.85 REN (0.45) CCR1RENANPEPLAP3RNPEP
SCHEMBL4066974 0.85 CCR1 (0.49) CCR1RENANPEPLAP3RNPEP
SCHEMBL6675017 0.84 CCR1 (0.61) CCR1RENANPEPLAP3RNPEP

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