SCHEMBL5069727

SCHEMBL5069727

CCC(=O)N(C)[C@H]1CCN(Cc2ccc(F)c(N(C=O)Nc3ccc(C)nc3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
MELK Q14680 1/20 0.38
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
SCN8A Q9UQD0 7/20 0.37
SCN1A P35498 6/20 0.37
ALDH1A1 P00352 1/20 0.36
MLNR O43193 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GRM2 Q14416 1/20 0.36
SSTR5 P35346 1/20 0.35
CCR3 P51677 1/20 0.35
CCR5 P51681 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5069728 1.00 LTA4H (0.38) LTA4HMELKGALR3RAB9ASCN8A
SCHEMBL19349010 0.92 MAP4K4 (0.41) LTA4HMELKGALR3RAB9ASCN8A
SCHEMBL4006418 0.82 CCR3 (0.41) LTA4HMELKGALR3RAB9AALDH1A1
SCHEMBL403110 0.82 CCR3 (0.41) LTA4HMELKGALR3RAB9AALDH1A1
SCHEMBL403108 0.82 CCR3 (0.41) LTA4HMELKGALR3RAB9AALDH1A1
SCHEMBL4006400 0.78 LTA4H (0.36) LTA4HTP53
SCHEMBL400753 0.78 ADRB2 (0.41) GALR3RAB9ACCR3
SCHEMBL400551 0.78 ADRB2 (0.41) GALR3RAB9ACCR3
SCHEMBL4003553 0.78 ADRB2 (0.41) GALR3RAB9ACCR3
SCHEMBL398834 0.77 KCNH2 (0.43) GALR3RAB9AALDH1A1KCNH2GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed