SCHEMBL8098047

SCHEMBL8098047

CCOC(=O)c1cn(C2Cc3c(CN4C(=O)c5ccccc5C4=O)cccc3C2=O)c(C(=O)OCC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA2 P47869 5/20 0.36
GABRB2 P47870 5/20 0.36
CYP1A2 P05177 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL8098049 0.95 SMN1; SMN2 (0.35) GAALMNATSHRHTTSMN1; SMN2
SCHEMBL8099222 0.86 GAA (0.38) GAAHTTGABRA2GABRB2CYP1A2
SCHEMBL8013343 0.86 GAA (0.38) GAALMNASMN1; SMN2GABRA2GABRB2
SCHEMBL8100183 0.84 GAA (0.36) GAALMNASMN1; SMN2GABRA2GABRB2
SCHEMBL8013354 0.83 GAA (0.36) GAAGABRA2GABRB2CYP1A2GABRA1
SCHEMBL8011792 0.83 GAA (0.36) GAAGABRA2GABRB2CYP1A2GABRA1
SCHEMBL7848182 0.83 GRM5 (0.37) GAACYP1A2KMT2AMEN1RXFP1
SCHEMBL7820509 0.81 GAA (0.34) GAAGABRA2GABRB2CYP1A2GABRA1
SCHEMBL8649980 0.81 GABRA2 (0.45) GAASMN1; SMN2GABRA2GABRB2CYP1A2
SCHEMBL7820269 0.80 P2RY12 (0.37) GAATSHRKMT2AMEN1

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-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
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed