SCHEMBL4729974

SCHEMBL4729974

COC1COCCC1N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C1(CC2CC2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.40
KCNH2 Q12809 2/20 0.35
TACR1 P25103 2/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL4729056 0.86 TACR1 (0.35) TACR1
SCHEMBL4731996 0.86 CCR2 (0.37) CCR2TACR1
SCHEMBL4731385 0.81 TACR1 (0.38) TACR1
SCHEMBL4729719 0.78 CCR2 (0.37) CCR2TACR1
SCHEMBL4732753 0.77 TACR1 (0.33) CCR2TACR1
SCHEMBL4728127 0.77 CCR2 (0.36) CCR2TACR1
SCHEMBL4731678 0.76 TACR1 (0.32) CCR2TACR1
SCHEMBL4729389 0.76 CCR2 (0.36) CCR2TACR1
SCHEMBL4730370 0.75 TACR1 (0.35) CCR2TACR1
SCHEMBL4728797 0.75 CCR2 (0.38) CCR2TACR1

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