SCHEMBL4729023

SCHEMBL4729023

CC(C1CCOCC1)C1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CCR2 P41597 6/20 0.43
TSHR P16473 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
P2RX7 Q99572 2/20 0.40
MAPK1 P28482 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL1691788 0.72 SLC6A2 (0.48)
SCHEMBL442614 0.68 SLC6A2 (0.52)
SCHEMBL3039782 0.68 ENPP2 (0.50) CCR2TSHRHRH3MEN1ALDH1A1
SCHEMBL4731341 0.68 CCR2 (0.56) CCR2
SCHEMBL4729022 0.66 PRMT5 (0.40) PRMT5WDR77CCR2KMT2ACCR5
SCHEMBL24575982 0.66 TSHR (0.71) TSHRHRH3MEN1ALDH1A1KMT2A
SCHEMBL18133736 0.66 TSHR (0.58) TSHRHRH3MEN1ALDH1A1KMT2A
SCHEMBL8310378 0.65 TSHR (0.66) TSHRHRH3MEN1ALDH1A1KMT2A
SCHEMBL4729722 0.65 CCR2 (0.53) CCR2
SCHEMBL3661079 0.65 PRMT5 (0.50) PRMT5WDR77TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO disclosed