SCHEMBL11244553

SCHEMBL11244553

CC(N1CCC(c2noc3ccccc23)CC1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
HTR2A P28223 9/20 0.44
HTR1A P08908 7/20 0.44
HTR7 P34969 2/20 0.44
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
Bromide SCHEMBL10894830 0.99 DRD2 (0.44) DRD2HTR2AHTR1AHTR7POLB
SCHEMBL11247050 0.89 HTR2A (0.46) HTR2AHTR7
Hydrochloric Acid SCHEMBL10893944 0.88 HTR2A (0.45) HTR2AHTR7
SCHEMBL11283504 0.87 DRD2 (0.44) DRD2HTR2AHTR1AHTR7KCNH2
SCHEMBL10940365 0.86 HTR2A (0.41) DRD2HTR2AHTR1A
SCHEMBL10897685 0.78 DRD2 (0.43) DRD2HTR2AHTR1AHTR7
SCHEMBL11244560 0.78 HTR1A (0.55) DRD2HTR2AHTR1A
SCHEMBL10893799 0.77 HTR2A (0.41) DRD2HTR2AHTR1AHTR7KCNH2
SCHEMBL11163883 0.77 HTR2A (0.46) HTR2AHTR7
SCHEMBL10898277 0.77 HTR2A (0.46) DRD2HTR2AHTR1AHTR7

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-4352811-A NEUROLEPTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-10-05 US claimed