SCHEMBL13809452

SCHEMBL13809452

CCOCC1(C(=O)N2CCc3ncc(C)cc3C2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL15353819 0.93 KCNJ1 (0.32) KCNJ1KDM4ELMNATSHRHTT
SCHEMBL15353817 0.93 KCNJ1 (0.32) KCNJ1KDM4ELMNATSHRHTT
SCHEMBL15353818 0.93 KCNJ1 (0.32) KCNJ1KDM4ELMNATSHRHTT
SCHEMBL1119765 0.91 CCR2 (0.39) —
SCHEMBL13809459 0.84 CCR2 (0.34) KCNJ1TSHRALDH1A1KMT2A
SCHEMBL1120068 0.84 CCR2 (0.39) —
SCHEMBL13011668 0.84 CCR2 (0.39) —
SCHEMBL13011667 0.84 CCR2 (0.39) —
SCHEMBL1119752 0.84 CYP3A4 (0.35) KCNJ1TSHRALDH1A1MEN1KMT2A
SCHEMBL13043838 0.83 CCR2 (0.34) —

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-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
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