SCHEMBL8554408

SCHEMBL8554408

COc1ccc2c(c1OC1CNC1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
HTR6 P50406 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39

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
Hydrochloric Acid SCHEMBL6964728 0.99 ADRA1D (0.40) PDE4AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL10199778 0.97 PDE4A (0.40) PDE4AHTR2CHTR2BSLC6A4HTR2A
Hydrochloric Acid SCHEMBL6954720 0.96 PDE4A (0.40) PDE4AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL29301888 0.86 HTR1A (0.43) PDE4AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL255778 0.86 HTR1A (0.43) PDE4AHTR2CHTR2BSLC6A4HTR2A
Hydrochloric Acid SCHEMBL6969650 0.85 HTR1A (0.42) PDE4AHTR2CHTR2BSLC6A4HTR2A
Hydrochloric Acid SCHEMBL6959004 0.85 HTR1A (0.42) PDE4AHTR2CHTR2BSLC6A4HTR2A
Hydrochloric Acid SCHEMBL6963984 0.85 HTR1A (0.42) PDE4AHTR2CHTR2BSLC6A4HTR2A
SCHEMBL8960045 0.79 KDM4E (0.49) HTR2CHTR2BHTR2AADRA1DADRA1A
Hydrochloric Acid SCHEMBL6971302 0.79 SLC6A2 (0.43) HTR2CHTR2BSLC6A4

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
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP disclosed