SCHEMBL8090133

SCHEMBL8090133

CCOC(=O)c1cn(C2Cc3cc(CN(C)C=O)ccc3C2=O)c(C(=O)OCC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
POLB P06746 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRA5 P31644 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 2/20 0.32
GABRA2 P47869 7/20 0.32
GABRB2 P47870 7/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL8098019 0.87 KDM4E (0.34) KDM4EDPP4DPP8DPP9POLB
SCHEMBL7846587 0.86 CYP26A1 (0.31)
SCHEMBL8090657 0.85 GABRA1 (0.33) KDM4EGABRA1GABRA5NPC1RAB9A
SCHEMBL8099207 0.83 PDE3B (0.38) KDM4EDPP4DPP8DPP9POLB
SCHEMBL8104380 0.82 MAPK1 (0.34) KDM4EDPP4DPP8DPP9POLB
SCHEMBL8646311 0.82 GABRA2 (0.42) KDM4EDPP4DPP8DPP9POLB
SCHEMBL8649980 0.79 GABRA2 (0.45) POLBGABRA1GABRA5KMT2AGABRA2
SCHEMBL8642931 0.77 GABRA2 (0.44) KDM4EDPP4DPP8DPP9GABRA2
SCHEMBL7846559 0.75
SCHEMBL8316162 0.74 MAPT (0.41) POLBGABRA1GABRA5KMT2AGABRA2

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