SCHEMBL4071253

SCHEMBL4071253

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
LAP3 P28838 3/20 0.56
ANPEP P15144 1/20 0.56
RNPEP Q9H4A4 1/20 0.56
DNPEP Q9ULA0 1/20 0.56
REN P00797 3/20 0.51
CCR1 P32246 2/20 0.46
ACE P12821 1/20 0.44

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
SCHEMBL7679505 0.91 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL7589901 0.91 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL4043571 0.76 REN (0.63) CYP3A4TSHRLAP3ANPEPRNPEP
SCHEMBL7394875 0.76 LAP3 (0.46) CYP3A4LAP3ANPEPRNPEPDNPEP
SCHEMBL4068036 0.76 REN (0.62) LAP3RENCCR1
SCHEMBL4066989 0.76 REN (0.62) LAP3RENCCR1
SCHEMBL28724369 0.75 LAP3 (0.52) CYP3A4TSHRLAP3ANPEPRNPEP
SCHEMBL14372988 0.75 CYP3A4 (0.58) CYP3A4TSHRANPEP
SCHEMBL3534809 0.75 REN (0.85) REN
SCHEMBL3534806 0.75 REN (0.85) REN

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