SCHEMBL8610149

SCHEMBL8610149

CCC(O)NCCCCCCNCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.62
CHRM2 P08172 1/20 0.61
SIGMAR1 Q99720 5/20 0.56
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MPO P05164 1/20 0.45

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
SCHEMBL8614791 0.98 MAOA (0.59) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8612168 0.87 MAOA (0.57) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL8614361 0.84 MAOA (0.67) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8612202 0.84 MAOA (0.67) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8613882 0.84 MAOA (0.67) MAOACHRM2SIGMAR1HDAC3HDAC1
Bromide SCHEMBL10730576 0.83 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A
Bromide SCHEMBL28412992 0.83 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A
Bromide SCHEMBL7032019 0.83 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A
Bromide SCHEMBL5549665 0.83 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A
Bromide SCHEMBL11269703 0.83 MAOA (0.77) MAOACHRM2SIGMAR1MEN1KMT2A

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-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed