SCHEMBL4454419

SCHEMBL4454419

O=C[CH]NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.43
EPHX1 P07099 2/20 0.43
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
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL812583 0.80 EPHX2 (0.46) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL14313766 0.74 GRIN2D (0.50) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL5804293 0.70 GRIN2D (0.52) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL3085164 0.70 EPHX2 (0.46) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL23367161 0.69
Cyclopentene SCHEMBL9743127 0.69 EPHX2 (0.36) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL4035388 0.66 GRIN2D (0.52) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL27857578 0.65 EPHX2 (0.41) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL12093024 0.64 EPHX2 (0.33) EPHX2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL12093025 0.64 EPHX2 (0.58) EPHX2EPHX1GRIN2DGRIN3BGRIN1

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
US-20090054314-A1 Combined use of DPP-IV inhibitors and gastrin compounds WARATAH PHARMACEUTICALS INC. (CA) 2009-02-26 US disclosed