SCHEMBL4729068

SCHEMBL4729068

COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CC3)CCNC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.36
SLC2A1 P11166 2/20 0.34
CETP P11597 8/20 0.34
WDR5 P61964 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL4728683 0.84 KDM4E (0.40) TACR1CETP
SCHEMBL4730989 0.84 CETP (0.38) TACR1CETP
SCHEMBL4730021 0.81 TACR1 (0.38) TACR1
SCHEMBL4732027 0.81 TACR1 (0.38) TACR1
SCHEMBL4728797 0.81 CCR2 (0.38) TACR1CETP
SCHEMBL4730592 0.80 TACR1 (0.35) TACR1
SCHEMBL4731956 0.79 TACR1 (0.46) TACR1
SCHEMBL4733037 0.79 KCNH2 (0.41) TACR1
SCHEMBL4004610 0.78 SMYD3 (0.36) TACR1
SCHEMBL4729901 0.78 CETP (0.38) TACR1CETP

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