SCHEMBL7425952

SCHEMBL7425952

COc1cc(OCNC=O)c2c3ccccc3n(Cc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.46
MAPT P10636 4/20 0.42
NTRK1 P04629 1/20 0.41
TP53 P04637 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 2/20 0.40
MCL1 Q07820 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
PLA2G10 O15496 1/20 0.39

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
SCHEMBL818332 0.83 PLA2G2A (0.41) MAPTTP53RXFP1SMN1; SMN2PLA2G10
SCHEMBL6129670 0.79 P2RX4 (0.43) P2RX4MAPTNTRK1TP53RXFP1
SCHEMBL817878 0.76 HTR6 (0.44) PLA2G10
SCHEMBL6129667 0.76 P2RX4 (0.40) P2RX4MAPTNTRK1TP53RXFP1
SCHEMBL6925519 0.73 HTR6 (0.51) P2RX4CYP19A1KMT2AMCL1
SCHEMBL7628888 0.71 ABCG2 (0.39) KMT2ASMN1; SMN2
SCHEMBL6920470 0.67 HTR6 (0.52) P2RX4KMT2AMCL1PLA2G10
SCHEMBL818181 0.67 PLA2G2A (0.52) PLA2G10
SCHEMBL6923676 0.67 HTR1A (0.45) P2RX4CYP19A1KMT2AMCL1MAPK1
SCHEMBL14280388 0.66 P2RX4 (0.77) P2RX4NTRK1KMT2AMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259260-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2002-11-27 EP claimed
EP-1214041-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-06-19 EP claimed
WO-2001049323-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2001-07-12 WO claimed
WO-2000037022-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2000-06-29 WO claimed
EP-1265607-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
EP-1259260-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2002-11-27 EP disclosed
EP-1214041-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-06-19 EP disclosed
WO-2001066110-A2 METHOD FOR THE TREATMENT OF RENAL DYSFUNCTION WITH sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed
WO-2001049323-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2001-07-12 WO disclosed
WO-2000037022-A2 COMBINATION THERAPY FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2000-06-29 WO disclosed