SCHEMBL4728919

SCHEMBL4728919

O=C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc2ccc(=O)oc2c1)C1(CC2CC2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.36
DRD4 P21917 2/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL4001725 0.84 TACR1 (0.39) TACR1SLC6A4
SCHEMBL3995308 0.82 PIM1 (0.35) TACR1PIM1
SCHEMBL3996741 0.80 PARP1 (0.41) DRD4DRD2
SCHEMBL3997786 0.79 KCNH2 (0.34) TACR1SLC6A4PIM1
SCHEMBL3996200 0.79 TACR1 (0.36) TACR1SLC6A4
SCHEMBL4000751 0.78 TACR1 (0.36) TACR1DRD2
SCHEMBL3997549 0.78 PIM1 (0.34) TACR1PIM1
SCHEMBL4003970 0.77 TACR1 (0.36) TACR1SLC6A4
SCHEMBL4730021 0.77 TACR1 (0.38) TACR1SLC6A4
SCHEMBL4732027 0.77 TACR1 (0.38) TACR1SLC6A4

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