SCHEMBL2274437

SCHEMBL2274437

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCCN4CCNCC4)C(=O)O)c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
HTR7 P34969 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
QPCT Q16769 2/20 0.31
ENPP2 Q13822 1/20 0.31
CASR P41180 1/20 0.31
OPRM1 P35372 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
SCHEMBL13274713 0.95 FGFR1 (0.34) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2219314 0.92 CCR5 (0.34) CCR5KDRHTR7OPRM1
SCHEMBL2222897 0.91 SMN1; SMN2 (0.36) CCR5MCHR1
SCHEMBL2265615 0.90 FGFR1 (0.35) CCR5FGFR1FGFR2FGFR4FGFR3
SCHEMBL2362780 0.87 OPRM1 (0.36) MCHR1HTR7SIGMAR1ENPP2OPRM1
SCHEMBL13507143 0.87 ENPP2 (0.33) ENPP2
SCHEMBL2223363 0.87 ACHE (0.34) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL13506662 0.87 HTR7 (0.33) CCR5HTR7SIGMAR1
SCHEMBL2221804 0.86 ENPP2 (0.35) FGFR1FGFR3ENPP2
SCHEMBL2272785 0.86 ENPP2 (0.35) FGFR1FGFR2FGFR4FGFR3KDR

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-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed