SCHEMBL7082459

SCHEMBL7082459

Oc1c(Cl)cc2[nH]c3cnccc3c2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
CHUK O15111 12/20 0.49
IKBKB O14920 2/20 0.48
KDM5A P29375 3/20 0.45
KDM4E B2RXH2 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 1/20 0.44
TOP1 P11387 1/20 0.44
GABRA1 P14867 1/20 0.44
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL14253031 0.79 CHUK (0.64) CHUKIKBKBKDM5APIM1
SCHEMBL7078407 0.73 ADORA3 (0.57) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL7085913 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL31060553 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL12396541 0.70 CHUK (0.78) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL30322777 0.70 CHUK (0.78) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL2157055 0.69 AURKA (0.53) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL9427509 0.68 IMPDH2 (0.62) ADORA3ADORA2AADORA1CHUKIKBKB
SCHEMBL7084039 0.68 ADORA3 (0.60) ADORA3ADORA2AKDM5AKDM4EALDH1A1
SCHEMBL2768542 0.67 CHUK (0.77) CHUKIKBKBKDM4EGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US claimed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO claimed
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US disclosed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO disclosed