SCHEMBL4729022

SCHEMBL4729022

CC1(C(=O)N(Cc2ccc(Cl)c(Cl)c2)CC2CCOCC2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 9/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 2/20 0.39
CCR2 P41597 3/20 0.39
KMT2A Q03164 1/20 0.38
OPRK1 P41145 1/20 0.36
CCR5 P51681 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
SCHEMBL4780748 0.80 CCR2 (0.41) SLC6A4CYP3A4CYP2D6CCR2
SCHEMBL1691743 0.69 SLC6A2 (0.52) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL4727699 0.68 CETP (0.39) CYP3A4CCR2KMT2A
SCHEMBL4782016 0.68 CCR2 (0.38) SLC6A4CYP2D6CCR2
SCHEMBL4732645 0.68 CCR2 (0.42) SLC6A2SLC6A4CCR2
SCHEMBL4731707 0.68 TACR1 (0.41) SLC6A2SLC6A4SLC6A3CCR2
SCHEMBL4729023 0.66 PRMT5 (0.46) PRMT5WDR77CCR2KMT2ACCR5
SCHEMBL415119 0.65 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5995859 0.65 SLC6A2 (0.70) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL7491671 0.65 SLC6A4 (0.53) PRMT5WDR77SLC6A2SLC6A4SLC6A3

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