SCHEMBL13806570

SCHEMBL13806570

C=C(N1CC(c2cc(C(F)(F)F)ccn2)C1)C1(COC)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.36
▸ MAP3K12 Q12852 10/20 0.35
▸ BTK Q06187 2/20 0.34
▸ ADRB1 P08588 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL3779367 0.90 CCR2 (0.41) CCR2MAP3K12BTKSYKPIM1
SCHEMBL3786379 0.74 CCR2 (0.42) CCR2MAP3K12BTK
SCHEMBL13018958 0.72 SYK (0.42) CCR2MAP3K12BTKSYKTACR1
SCHEMBL3788239 0.68 MAP3K12 (0.47) MAP3K12SYKTACR1
SCHEMBL1119338 0.66 CCR2 (0.47) CCR2KCNH2
SCHEMBL13063398 0.66 MAP3K12 (0.45) MAP3K12ADRB1SLC6A4TACR1KCNH2
SCHEMBL20743055 0.66 MAP3K12 (0.44) MAP3K12
SCHEMBL20743116 0.64 JAK2 (0.44) MAP3K12
Trifluoroacetic Acid SCHEMBL1119773 0.64 CCR2 (0.45) CCR2KCNH2
SCHEMBL7074219 0.64 MAPK1 (0.58) MAP3K12ADRB1

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-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
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