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SCHEMBL4733037

SCHEMBL4733037

CS(=O)(=O)c1ccc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C2(CC3CC3)CCNC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ TACR1 P25103 13/20 0.35
▸ SLC6A4 P31645 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ CACNA1B Q00975 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
SCHEMBL4732027 0.88 TACR1 (0.38) TACR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL4731394 0.88 TRPV1 (0.42) —
SCHEMBL4733058 0.86 TRPV1 (0.36) TACR1
SCHEMBL4730021 0.86 TACR1 (0.38) TACR1SLC6A4
SCHEMBL4728683 0.86 KDM4E (0.40) KCNH2TACR1
SCHEMBL4729164 0.85 TACR1 (0.35) TACR1SLC6A4CCR2
SCHEMBL4730989 0.84 CETP (0.38) TACR1CCR2
SCHEMBL4730403 0.83 TACR1 (0.35) TACR1SLC6A4CCR2
SCHEMBL4730613 0.83 TACR1 (0.35) TACR1SLC6A4HSD11B1
SCHEMBL4731956 0.83 TACR1 (0.46) KCNH2TACR1SLC6A4CCR2

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