SCHEMBL8897899

SCHEMBL8897899

CCCCCC(CC)c1cc2ccccc2c(C(N)=O)c1CC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
TACR3 P29371 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8901090 0.89 PLA2G1B (0.32) TACR3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8898755 0.87 TACR3 (0.31) TACR3KDM4EKMT2APPARGPPARA
SCHEMBL8897205 0.84 KDM4E (0.32) TACR3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL8897871 0.84 KDM4E (0.34) TACR3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL27629533 0.84 KMT2A (0.40) CNR2KDM4EKMT2AL3MBTL1CNR1
SCHEMBL8897888 0.83 CNR2 (0.36) CNR2TACR3KDM4EKMT2AL3MBTL1
SCHEMBL15090920 0.75 ALDH1A1 (0.44) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8898418 0.74 KDM4E (0.37) CNR2KDM4EKMT2AL3MBTL1CNR1
SCHEMBL8898159 0.74 CYP3A4 (0.42) KMT2ACYSLTR2CYSLTR1MEN1ALDH1A1
SCHEMBL3315873 0.73 MAPT (0.45) KDM4EPPARGPPARAALDH1A1GLA

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
US-5703091-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed