SCHEMBL27629533

SCHEMBL27629533

CCCCCC(CC)c1ccc2ccccc2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 7/20 0.40
CNR1 P21554 6/20 0.40
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL8897899 0.84 CNR2 (0.36) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL8897888 0.79 CNR2 (0.36) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL3643349 0.78 CYP1A2 (0.38) KMT2AKDM4ENPSR1MEN1ALDH1A1
SCHEMBL10870133 0.77 NR1I2 (0.39) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL8898418 0.77 KDM4E (0.37) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL2126040 0.76 ALDH1A1 (0.43) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL11228142 0.75 TLR8 (0.38) KMT2AKDM4EL3MBTL1NPSR1MEN1
SCHEMBL3693342 0.75 CYP3A4 (0.49) KMT2AKDM4EL3MBTL1CNR2MEN1
SCHEMBL10581923 0.75 KDM4E (0.44) KMT2AKDM4EL3MBTL1CNR2CNR1
SCHEMBL10584028 0.75 KDM4E (0.44) KMT2AKDM4EL3MBTL1CNR2CNR1

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
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 CN disclosed