SCHEMBL9742174

SCHEMBL9742174

O=C1Cc2cc3c(cc2C=CN1CC1CCN(CCCc2c[nH]c4ccccc24)C1)OCO3

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
DRD2 P14416 6/20 0.41
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
HRH1 P35367 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
HTR2B P41595 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL9215673 0.87 HTR1A (0.45) HTR1ADRD2HTR1DHTR1B
Water SCHEMBL9739470 0.83 HTR1A (0.45) HTR1ADRD2HTR1DHTR1BSLC6A4
Hydrochloric Acid SCHEMBL9743101 0.80 HTR1A (0.52) HTR1ADRD2HTR1DHTR1BSLC6A4
SCHEMBL9207818 0.79 HTR1A (0.43) HTR1ADRD2SLC6A4HTR7HRH1
Water SCHEMBL9739270 0.78 HTR1A (0.43) HTR1ADRD2SLC6A4HTR7HRH1
SCHEMBL9213548 0.75 PDE5A (0.37) SLC6A4SLC6A3MEN1MAPK1KMT2A
SCHEMBL9216130 0.74 HTR1A (0.47) HTR1ADRD2HTR1DHTR1BSLC6A4
SCHEMBL9216571 0.72 PDE4D (0.49) HTR1ADRD2HTR1DHTR1BSLC6A4
SCHEMBL9206815 0.71 HTR1A (0.55) HTR1ADRD2HTR1DHTR1BSLC6A4
Hydrochloric Acid SCHEMBL9740012 0.71 PDE4D (0.48) HTR1ADRD2HTR1DHTR1BSLC6A4

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed