SCHEMBL9865164

SCHEMBL9865164

CC(COc1ccc(-n2nc3c(cc2=O)COc2ccccc2-3)cc1)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.37
MAOA P21397 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH1 P35367 3/20 0.34
KCNH2 Q12809 2/20 0.34
HTR2B P41595 2/20 0.34
SLC22A1 O15245 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
SCHEMBL10445029 0.90 MAPT (0.35) HRH3KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL9867229 0.89 TOP1 (0.40) MAOBMAOABCHEACHEHRH3
SCHEMBL9866045 0.89 THRB (0.34) MAOBMAOAHRH3ALDH1A1KDM4E
SCHEMBL9865298 0.87 MCHR1 (0.43) MAOBMAOABCHEACHEHRH3
SCHEMBL9602742 0.87 HRH3 (0.45) HRH3ALDH1A1KDM4EGAAMAPT
SCHEMBL9602962 0.84 HRH3 (0.36) HRH3ALDH1A1KDM4ENPC1MAPT
SCHEMBL9867905 0.82 ADRB2 (0.44) MAPTSLC6A2OPRK1MEN1CYP1A2
SCHEMBL10445204 0.81 HRH3 (0.42) HRH3ALDH1A1KDM4EMAPTMEN1
SCHEMBL9866302 0.79 CYP2D6 (0.45) HTR1ASLC6A4ADRA1ASIGMAR1MEN1
SCHEMBL9866371 0.79 HRH3 (0.41) HRH3ALDH1A1KDM4EMAPTMEN1

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed