SCHEMBL15599259

SCHEMBL15599259

CCc1cnc(OCC(C)C)c(C2CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CNR2 P34972 4/20 0.31
CNR1 P21554 1/20 0.31
ABL1 P00519 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL17432901 0.83 MEN1 (0.35) MEN1POLBKMT2AHRH4CDK1
SCHEMBL17244893 0.81 MEN1 (0.32) MEN1POLBKMT2AHRH4CDK1
SCHEMBL3839159 0.69 PDE10A (0.34)
SCHEMBL19083788 0.67 SSTR4 (0.45) MEN1POLBKMT2ACNR2ABL1
SCHEMBL10735673 0.64 MEN1 (0.39) MEN1POLBKMT2AHRH4CDK1
SCHEMBL19075625 0.64 SSTR4 (0.35) CNR2CNR1
SCHEMBL31046825 0.63 DGAT1 (0.36) CNR2CNR1CHRM2
SCHEMBL7480952 0.63 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11757341 0.63 PTGS1 (0.36)
SCHEMBL24215029 0.61 APOBEC3A (0.36) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed