SCHEMBL4731354

SCHEMBL4731354

CC(C)CC1(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccco2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.40
AR P10275 1/20 0.40
CCR2 P41597 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.37
GFER P55789 1/20 0.37
NNMT P40261 1/20 0.37
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4731307 0.80 CETP (0.44) TACR1CCR2
SCHEMBL4731572 0.80 PSEN1 (0.39) TACR1GPBAR1
SCHEMBL4728949 0.79 TACR1 (0.35) TACR1TP53CYP2D6TSHRSLC6A2
SCHEMBL4731680 0.79 CETP (0.43) TACR1CCR2
SCHEMBL4732423 0.79 CETP (0.41) TACR1
SCHEMBL4732645 0.78 CCR2 (0.42) TACR1CCR2SLC6A2SLC6A4
SCHEMBL3998806 0.77 TACR1 (0.34) TACR1ARCYP2D6TSHRSLC6A2
SCHEMBL4731447 0.77 PTGDR2 (0.42) TACR1TP53CYP2C19
SCHEMBL4731356 0.74 TACR1 (0.44) TACR1CCR2NPC1USP2ALDH1A1
SCHEMBL4731663 0.74 TACR1 (0.40) TACR1TP53POLBSLC6A2SLC6A4

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