SCHEMBL4066014

SCHEMBL4066014

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
PNMT P11086 1/20 0.40
CCR1 P32246 4/20 0.40
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
CTSL P07711 1/20 0.37
METAP2 P50579 1/20 0.37
KIF11 P52732 1/20 0.36
HDAC1 Q13547 1/20 0.36
HTRA1 Q92743 1/20 0.36
MASP2 O00187 1/20 0.36

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
SCHEMBL2676715 0.89 CCR1 (0.47) RENPNMTCCR1CHRM2CCR5
SCHEMBL2675795 0.87 CCR1 (0.50) RENCCR1CHRM2CCR5HDAC1
SCHEMBL2675300 0.84 CCR1 (0.39) RENCCR1CHRM2CCR5
SCHEMBL4068331 0.84 MMP9 (0.48) RENCCR1CHRM2CCR5
SCHEMBL4062769 0.81 CCR1 (0.40) RENCCR1CHRM2CCR5
SCHEMBL4070042 0.80 CCR1 (0.48) RENCCR1CHRM2CCR5
SCHEMBL4063981 0.79 CCR1 (0.47) RENCCR1HDAC1
SCHEMBL4071586 0.78 REN (0.42) RENCCR1
SCHEMBL6832278 0.78 CCR1 (0.58) RENCCR1HDAC1
SCHEMBL4064275 0.78 CCR1 (0.58) RENCCR1HDAC1

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