SCHEMBL8117486

SCHEMBL8117486

COc1ccc2sc(CC3CCCCC3)c(CC#N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CDK1 P06493 7/20 0.36
MAPKAPK2 P49137 6/20 0.36
PLA2G2A P14555 1/20 0.36
PRKD1 Q15139 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HSP90AA1 P07900 2/20 0.33

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
SCHEMBL8132246 0.78 CNR2 (0.43) CDK1MAPKAPK2KDM4ENPC1ALDH1A1
SCHEMBL8118109 0.77 MTNR1A (0.64) MTNR1AMTNR1BKDM4EALDH1A1POLB
SCHEMBL8133449 0.75 NPC1 (0.42) PLA2G2AKDM4ENPC1ALDH1A1MAPT
SCHEMBL8133389 0.75 MTNR1A (0.62) MTNR1AMTNR1BPLA2G2AKDM4ENPC1
SCHEMBL8127298 0.74 L3MBTL1 (0.40) MTNR1AMTNR1BCDK1MAPKAPK2KDM4E
SCHEMBL8132743 0.73 RAB9A (0.37) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL8131878 0.71 CLK1 (0.41) MTNR1AMTNR1BKDM4ENPC1ALDH1A1
SCHEMBL8117069 0.70 NR1D1 (0.43) MTNR1AMTNR1BKDM4EMAPTRAB9A
SCHEMBL8118630 0.70 ATM (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL4450287 0.65 ACHE (0.43) MTNR1AMTNR1BNPC1MAPTRAB9A

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-6147110-A MELATONINERGIC AGENTS; SLEEP, EATING, CENTRAL NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2000-11-14 US disclosed
EP-0926145-A1 Napthalene compounds, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-30 EP disclosed