SCHEMBL4066989

SCHEMBL4066989

CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.62
LTA4H P09960 4/20 0.58
LAP3 P28838 1/20 0.55
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
CCR1 P32246 9/20 0.51
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4068036 1.00 REN (0.62) RENLTA4HLAP3MMP9MMP8
SCHEMBL4069710 0.85 MMP1 (0.56) MMP9MMP8CCR1
SCHEMBL4058892 0.83 CCR1 (0.53) CCR1SMN1; SMN2
SCHEMBL7591101 0.83 CCR1 (0.53) CCR1SMN1; SMN2
SCHEMBL8892873 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2
SCHEMBL8892764 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2
SCHEMBL8892865 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2
SCHEMBL8892421 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2
SCHEMBL8892768 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2
SCHEMBL8892426 0.82 LTA4H (0.64) RENLTA4HLAP3RAB9ASMN1; SMN2

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 2 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