SCHEMBL8098246

SCHEMBL8098246

CCOC(=O)c1cn(C2Cc3c(cccc3C(C)C(=O)OCC)C2=O)c(C(=O)OCC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
GABRA2 P47869 7/20 0.35
GABRB2 P47870 7/20 0.35
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL8337317 0.95 GAA (0.36) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8098249 0.95 CYP1A2 (0.33) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL7848364 0.89 SMN1; SMN2 (0.32) GAACYP1A2KDM4EALDH1A1HPGD
SCHEMBL8013343 0.82 GAA (0.38) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8099222 0.82 GAA (0.38) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8649980 0.80 GABRA2 (0.45) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8098047 0.80 GAA (0.36) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8100183 0.80 GAA (0.36) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8013354 0.79 GAA (0.36) GAACYP1A2GABRA2GABRB2GABRA1
SCHEMBL8011792 0.79 GAA (0.36) GAACYP1A2GABRA2GABRB2GABRA1

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-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed