SCHEMBL16609891

SCHEMBL16609891

CN1CCC2(COC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ PRMT1 Q99873 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ MAP3K14 Q99558 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
SCHEMBL24782527 0.81 — —
SCHEMBL13460109 0.77 GRIN1 (0.40) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL25738952 0.77 GRIN1 (0.40) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL3436929 0.77 CHRM2 (0.48) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL26456980 0.76 GRIN1 (0.42) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL38662042 0.76 CHRM2 (0.39) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL19087176 0.76 CHRM2 (0.39) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL27151625 0.75 CHRM2 (0.40) CHRM2CHRM3PRMT1
SCHEMBL19249615 0.74 LTA4H (0.35) LTA4HCHRM2CHRM3GRIN1GRIN2A
SCHEMBL15564387 0.74 HTR2A (0.36) LTA4HCHRM2CHRM3GRIN1GRIN2A

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-2015043364-A1 BENZOXAZOLEOXAZINE KETONE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR 华北制药集团新药研究开发有限责任公司 2015-04-02 — — WO disclosed
Send feedback