SCHEMBL9865443

SCHEMBL9865443

CCN(CC)CCOc1ccc2c(c1)CCC1CC(=O)N(c3ccccn3)N=C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRNA7 P36544 1/20 0.43
HTR1A P08908 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9866508 0.89 HTR1A (0.43) KMT2AHTR1ADRD4HTR2AHTR2C
SCHEMBL9868353 0.85 SLC11A2 (0.49) MAPTKMT2AHTR1AHTR2AHTR2C
SCHEMBL9865351 0.81 HTR1A (0.53) HTR1ADRD4HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL10445024 0.80 HTR1A (0.51) HTR1ADRD4HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL10445023 0.80 HTR1A (0.51) HTR1ADRD4HTR2AHTR2CHTR7
SCHEMBL9867723 0.78 CD274 (0.43) ACHEMIFBCHE
Hydrochloric Acid SCHEMBL9603029 0.74 MAPK14 (0.40) MAPTKMT2ACHRNA7HTR1AHRH3
SCHEMBL10366227 0.72 CD274 (0.50) HTR1ADRD4HTR2AHTR2CHTR7
Maleic Acid SCHEMBL9602819 0.71 MAPK14 (0.36) MAPTHTR1AHRH3KDM4EPOLB
SCHEMBL9879719 0.68 ACHE (0.43) KMT2AHRH3MEN1ACHE

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