SCHEMBL4731245

SCHEMBL4731245

CN(C(=O)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(CC2CC2)CCNCC1)C1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.34
SLC6A4 P31645 2/20 0.34
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 2/20 0.32
SLC6A2 P23975 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4729719 0.75 CCR2 (0.37) TACR1SLC6A4CYP3A4CYP2D6CCR2
SCHEMBL4728127 0.74 CCR2 (0.36) TACR1SLC6A4CCR2
SCHEMBL4732208 0.74 CCR2 (0.36) TACR1SLC6A4CYP3A4CYP2D6CCR2
SCHEMBL4730370 0.72 TACR1 (0.35) TACR1SLC6A4CCR2TSHR
SCHEMBL4728919 0.72 TACR1 (0.36) TACR1SLC6A4
SCHEMBL4729901 0.72 CETP (0.38) TACR1CCR2
SCHEMBL3023605 0.71 CCR2 (0.44) CCR2
SCHEMBL4003938 0.71 KCNH2 (0.35) TACR1SLC6A4TSHR
SCHEMBL4001725 0.71 TACR1 (0.39) TACR1SLC6A4CYP3A4CYP2D6SLC6A2
SCHEMBL4729389 0.71 CCR2 (0.36) TACR1SLC6A4CCR2

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