SCHEMBL6013405

SCHEMBL6013405

CCCCCc1c(C)cccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.51
CYP3A4 P08684 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CD38 P28907 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
PLK1 P53350 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL6013408 0.98 LMNA (0.51) CXCR5CYP3A4LMNAMEN1NR1I2
SCHEMBL27556126 0.95 CYP3A4 (0.46) CXCR5CYP3A4LMNAMEN1NR1I2
SCHEMBL5370893 0.91 CYP3A4 (0.53) CXCR5CYP3A4LMNAMEN1NR1I2
SCHEMBL28371050 0.90 LMNA (0.55) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL27405674 0.90 LMNA (0.55) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL6535320 0.90 LMNA (0.55) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL4235369 0.90 CXCR5 (0.49) CXCR5CYP3A4LMNAMEN1NR1I2
SCHEMBL2972655 0.86 LMNA (0.50) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL10903924 0.85 CYP3A4 (0.48) CXCR5CYP3A4LMNAMEN1NR1I2
SCHEMBL22736732 0.85 BID (0.48) CYP3A4LMNAMEN1NR1I2CHRM2

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-7126027-B2 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives AKZO NOBEL N.V. (NL) 2006-10-24 US disclosed