SCHEMBL4068331

SCHEMBL4068331

CC(C)(O)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.48
FCER2 P06734 4/20 0.48
REN P00797 3/20 0.47
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
CCR1 P32246 4/20 0.42
MMP8 P22894 3/20 0.41
MMP2 P08253 1/20 0.41
CHRM2 P08172 1/20 0.40
CCR5 P51681 1/20 0.40
IDE P14735 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL4067311 0.89 CCR1 (0.48) MMP9FCER2RENCCR1CHRM2
SCHEMBL2675795 0.87 CCR1 (0.50) RENCCR1CHRM2CCR5
SCHEMBL2675300 0.84 CCR1 (0.39) RENCCR1CHRM2CCR5
SCHEMBL4066014 0.84 REN (0.44) RENCCR1CHRM2CCR5
SCHEMBL4062769 0.81 CCR1 (0.40) FCER2RENCCR1CHRM2CCR5
SCHEMBL2675110 0.79 CCR1 (0.51) RENCCR1CHRM2CCR5
SCHEMBL4064275 0.78 CCR1 (0.58) RENCCR1
SCHEMBL6832278 0.78 CCR1 (0.58) RENCCR1
SCHEMBL4066887 0.77 CCR1 (0.52) RENCCR1CHRM2CCR5
Hydroxyamine SCHEMBL6688642 0.76 CCR1 (0.57) RENCCR1

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