SCHEMBL7096737

SCHEMBL7096737

COc1ccc(-c2cc3c([nH]2)CCCC3)cc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.45
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
MAPKAPK2 P49137 3/20 0.39
PDE4A P27815 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 2/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL5945897 0.76 ERN1 (0.49) KDRPDE4ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL7009747 0.76 CCNB2 (0.63) RIPK1CDK1CCNB2CCNB1GSK3A
SCHEMBL7101502 0.76 CCNB2 (0.44) NPY5RPDE4ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL7100815 0.75 RIPK1 (0.42) NPY5RPDE4ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL6285594 0.74 GAA (0.41) PDGFRBFGFR1KDRPDE4AKDM4E
SCHEMBL7101268 0.73 RIPK1 (0.43) NPY5RSMN1; SMN2KDM4EL3MBTL1LMNA
SCHEMBL7014990 0.73 RIPK1 (0.48) NPY5RSMN1; SMN2KDM4EL3MBTL1LMNA
SCHEMBL7016833 0.73 CCNB2 (0.42) NPY5RPDE4ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL7017680 0.73 RIPK1 (0.43) NPY5RPDE10ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL6286952 0.69 NPY5R (0.39) NPY5RPDGFRBFGFR1KDRPDE4A

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
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed