SCHEMBL4729164

SCHEMBL4729164

CC(=O)Nc1ccc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CC3)CCNC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.35
CCR1 P32246 1/20 0.33
CCR2 P41597 2/20 0.32
SLC6A4 P31645 1/20 0.32
MAPK14 Q16539 2/20 0.32
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
SCHEMBL4730403 0.94 TACR1 (0.35) TACR1CCR2SLC6A4TSHR
SCHEMBL4731394 0.89 TRPV1 (0.42)
SCHEMBL4732027 0.87 TACR1 (0.38) TACR1SLC6A4
SCHEMBL4730021 0.86 TACR1 (0.38) TACR1SLC6A4
SCHEMBL4728683 0.85 KDM4E (0.40) TACR1
SCHEMBL4733037 0.85 KCNH2 (0.41) TACR1CCR2SLC6A4
SCHEMBL4733058 0.84 TRPV1 (0.36) TACR1
SCHEMBL4730613 0.84 TACR1 (0.35) TACR1SLC6A4
SCHEMBL4730989 0.84 CETP (0.38) TACR1CCR2
SCHEMBL4731956 0.82 TACR1 (0.46) TACR1CCR2SLC6A4

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