SCHEMBL4731707

SCHEMBL4731707

O=C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC1CCOCC1)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.41
DCUN1D1 Q96GG9 2/20 0.37
SLC6A4 P31645 3/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
UBE2M P61081 1/20 0.36
CCR2 P41597 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
SCHEMBL4731859 0.90 GPBAR1 (0.39) TACR1DCUN1D1GPBAR1UBE2MCCR2
SCHEMBL4727699 0.89 CETP (0.39) TACR1CCR2
SCHEMBL4782016 0.85 CCR2 (0.38) TACR1SLC6A4CCR2
SCHEMBL4732645 0.85 CCR2 (0.42) TACR1SLC6A4SLC6A2CCR2
SCHEMBL4780748 0.84 CCR2 (0.41) TACR1SLC6A4CCR2
SCHEMBL4729719 0.84 CCR2 (0.37) TACR1SLC6A4CCR2
SCHEMBL4728688 0.82 CCR2 (0.36) TACR1DCUN1D1SLC6A4UBE2MCCR2
SCHEMBL4732208 0.82 CCR2 (0.36) TACR1SLC6A4CCR2
SCHEMBL4731339 0.80 CCR2 (0.40) TACR1SLC6A4SLC6A2SLC6A3CCR2
SCHEMBL4733316 0.75 CCR2 (0.31) CCR2

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 claimed