SCHEMBL3603880

SCHEMBL3603880

O=C(O)NCN1CCC[C@@H]1CNC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 2/20 0.43

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
SCHEMBL13316351 0.84 ALDH1A1 (0.51) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13166438 0.84 ALDH1A1 (0.51) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3342656 0.82 PREP (0.57) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25186706 0.82 PREP (0.57) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3336958 0.82 PREP (0.57) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25766824 0.80 PREP (0.44) PREPSMN1; SMN2RAB9ADRD2DRD3
SCHEMBL13316374 0.80 PREP (0.50) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13349564 0.80 PREP (0.50) PREPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4941260 0.80 PREP (0.44) PREPALDH1A1SMN1; SMN2RAB9ADRD2
SCHEMBL31037738 0.80 PREP (0.52) PREPALDH1A1SMN1; SMN2MEN1KMT2A

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-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed