SCHEMBL4731364

SCHEMBL4731364

Nc1ccc(N2CCC(Oc3ccccc3F)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DCK P27707 5/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SCD O00767 1/20 0.41
RET P07949 1/20 0.41
ACACB O00763 3/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40

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
SCHEMBL4726753 0.80 DCK (0.39) DCKGRIN1GRIN2BSCDRET
SCHEMBL3828744 0.78 DCK (0.46) DCKSCDRET
SCHEMBL3093225 0.78 CYP3A4 (0.58) SCD
SCHEMBL3828538 0.77 CYP3A4 (0.42) SCD
SCHEMBL3830322 0.77 CYP3A4 (0.42) SCD
SCHEMBL14130731 0.77 CYP3A4 (0.42) SCD
SCHEMBL4783429 0.77 F10 (0.44) RET
SCHEMBL4778998 0.77 F10 (0.44) RET
SCHEMBL2792824 0.77 MAP4K4 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17076788 0.77 MAP4K4 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed