SCHEMBL6837609

SCHEMBL6837609

COc1cccc2cc(C(=O)NC3CCC3)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.69
ADORA1 P30542 1/20 0.69
ADORA2B P29275 1/20 0.67
CHRNA7 P36544 3/20 0.65
LMNA P02545 1/20 0.60
RECQL P46063 1/20 0.60
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
HTR3A P46098 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 2/20 0.53

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
SCHEMBL6839051 0.98 ADORA2A (0.72) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL9727082 0.81 DRD4 (0.64) CHRNA7ALDH1A1RXFP1HSD17B10HPGD
SCHEMBL14270763 0.79 CHRNA7 (0.58) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL5584871 0.79 KMT2A (0.72) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL6632198 0.79 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL11919745 0.79 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL6873071 0.79 CHRNA7 (0.50) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL6873079 0.79 CHRNA7 (0.50) ADORA2AADORA1ADORA2BCHRNA7LMNA
SCHEMBL7427719 0.78 LMNA (0.68) ADORA2AADORA1ADORA2BCHRNA7LMNA
Hydrochloric Acid SCHEMBL2896612 0.78 CHRNA7 (0.98) CHRNA7HTR3A

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-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed