SCHEMBL11064360

SCHEMBL11064360

COc1ccc(Oc2c(OC)cc(NC(C)CCCN)c3nccc(C)c23)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 15/20 0.88
MAOB P27338 15/20 0.88
KDM4E B2RXH2 2/20 0.57
NSD2 O96028 1/20 0.57
MAPT P10636 1/20 0.57
ESR1 P03372 2/20 0.56
PGR P06401 2/20 0.56
HTR1A P08908 2/20 0.56
PTGS1 P23219 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
OPRM1 P35372 2/20 0.56
SLC6A3 Q01959 2/20 0.56
DRD1 P21728 1/20 0.56
DRD3 P35462 1/20 0.56
GSK3B P49841 1/20 0.54
CYP1A2 P05177 2/20 0.53
ABCB11 O95342 1/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53

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
Phosphoric Acid SCHEMBL11068520 0.95 MAOA (0.79) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL11066432 0.94 MAOA (1.00) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL14443960 0.90 MAOA (1.00) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL14443958 0.90 MAOA (1.00) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL3856309 0.90 MAOA (1.00) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL4730492 0.90 MAOA (0.77) MAOAMAOBKDM4ENSD2MAPT
Phosphoric Acid SCHEMBL11071666 0.89 MAOA (0.90) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL6385101 0.86 MAOA (0.84) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL6380623 0.86 MAOA (1.00) MAOAMAOBKDM4ENSD2MAPT
Phosphoric Acid SCHEMBL11067910 0.86 MAOA (0.91) MAOAMAOBKDM4ENSD2MAPT

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-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US claimed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US disclosed