SCHEMBL8812978

SCHEMBL8812978

Cc1noc(C)c1C[C@H](N)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.71
GRIA3 P42263 5/20 0.71
GRIA2 P42262 4/20 0.62
GRIA4 P48058 4/20 0.62
MAPT P10636 2/20 0.51
GRIK1 P39086 2/20 0.51
GRIK5 Q16478 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIK2 Q13002 1/20 0.51
GRIK3 Q13003 1/20 0.51
GRIK4 Q16099 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.50

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
SCHEMBL8812980 1.00 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL68799 0.85 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
(S)-Ampa SCHEMBL667915 0.85 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL2458874 0.85 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL8331718 0.84 GRIA1 (0.50) GRIA1GRIA3GRIA2GRIA4ALDH1A1
SCHEMBL27406637 0.83 GRIA1 (0.55) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL13319941 0.83 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL7200264 0.83 GRIA1 (0.68) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL7200262 0.83 GRIA1 (0.68) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL7167715 0.80 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629293-A Single chain peptide compounds having hemoregulatory activity NYCOMED IMAGING AS (NO) 1997-05-13 US disclosed
WO-1993024524-A1 SINGLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed