SCHEMBL8817045

SCHEMBL8817045

c1ccc(-c2cccc3[nH]c(C4CCCCC4)nc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.53
ADORA1 P30542 5/20 0.53
ADORA2A P29274 4/20 0.53
ADORA2B P29275 2/20 0.53
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PARP1 P09874 5/20 0.45
CNR2 P34972 3/20 0.45
CNR1 P21554 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL23105419 0.77 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL30741226 0.75 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6757201 0.73 NPC1 (0.62) POLBMAPTNPC1RAB9A
SCHEMBL724921 0.73 NPC1 (0.62) POLBMAPTNPC1RAB9A
SCHEMBL1170898 0.73 DHODH (0.54) ALDH1A1PARP1CNR2CNR1NPC1
SCHEMBL3970640 0.73 PARP1 (0.49) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL29412037 0.72 PARP1 (0.80) PARP1
SCHEMBL31027957 0.72 DHODH (0.59) ALDH1A1POLBPARP1CNR2NPC1
SCHEMBL6756134 0.72 NPC1 (0.59) POLBMAPTNPC1RAB9A
SCHEMBL22982110 0.70 PKN1 (0.51) ADORA3ALDH1A1POLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed