SCHEMBL4066013

SCHEMBL4066013

CC(O)(CC[C@H](C[C@@H](O)[CH]Cc1cccc(Cl)c1)C(=O)NO)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
MASP2 O00187 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2676714 0.90 HTR3E (0.35) CCR1SCN5ASCN9AHTR3EHTR3B
SCHEMBL2675794 0.88 CCR1 (0.40) CCR1HDAC1HDAC6
SCHEMBL4068329 0.85 FCER2 (0.43) CCR1HDAC1
SCHEMBL4062768 0.82 FCER2 (0.32) CCR1
SCHEMBL4070040 0.81 ANPEP (0.39) CCR1
SCHEMBL6832277 0.79 CCR1 (0.41) CCR1HDAC1HDAC6
SCHEMBL4064274 0.79 CCR1 (0.41) CCR1HDAC1HDAC6
SCHEMBL2675109 0.78 CCR1 (0.38) CCR1HDAC1HDAC6ALDH1A1
SCHEMBL4066881 0.78 CCR1 (0.42) CCR1KMT2A
SCHEMBL2675741 0.78 CCR1 (0.44) CCR1SCN9A

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