SCHEMBL2548548

SCHEMBL2548548

CCCCOC(=O)[C@](N)(C[SeH])C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11204688 0.79 HTR2A (0.57) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL8672147 0.78 RAB9A (0.48) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL11222027 0.76 MGLL (0.46) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL10465087 0.75 ALDH1A1 (0.54) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL8572371 0.74 IDO1 (0.51) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL7598489 0.74 ALDH1A1 (0.49) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL7599200 0.74 ALDH1A1 (0.49) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL2200690 0.74 RAB9A (0.46) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL8940532 0.73 MAOB (0.52) MAOBHTR2AALDH1A1RAB9AGAA
SCHEMBL9976430 0.73 ALDH1A1 (0.55) MAOBHTR2AALDH1A1RAB9AGAA

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-2011120071-A1 OXYTOCIN PEPTIDE ANALOGUES THE UNIVERSITY OF QUEENSLAND (AU) 2011-10-06 WO disclosed