SCHEMBL8797906

SCHEMBL8797906

COc1ccc2c(=O)c(CCN)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAOA P21397 2/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
ACHE P22303 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
STAT1 P42224 1/20 0.41
HPGD P15428 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
Hydrochloric Acid SCHEMBL9156660 0.99 NPC1 (0.45) NPC1RAB9AMAOACA1CA2
SCHEMBL9253876 0.89 MAPT (0.51) NPC1RAB9AMAOAACHEKDM4E
Hydrochloric Acid SCHEMBL9157724 0.88 MAPT (0.50) NPC1RAB9AMAOAACHEKDM4E
SCHEMBL8798920 0.80 MTNR1A (0.54) SMN1; SMN2
SCHEMBL9122304 0.80 ACHE (0.51) NPC1RAB9AACHEKDM4EALDH1A1
SCHEMBL9246318 0.80 NPC1 (0.45) NPC1RAB9AMAOACA1CA2
SCHEMBL26083923 0.74 ACHE (0.47) NPC1RAB9AMAOACA1CA2
SCHEMBL5617572 0.72 FAAH (0.43) NPC1RAB9AACHEKDM4EALDH1A1
SCHEMBL15158081 0.72 MAPT (0.56) CA1CA2ACHEKDM4EALDH1A1
SCHEMBL6952286 0.71 CLK1 (0.50) NPC1RAB9AMAOACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506539-B1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-05-02 EP disclosed
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
EP-0506539-A1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-09-30 EP disclosed