SCHEMBL10691217

SCHEMBL10691217

C=C1c2cc(F)ccc2OC12CCN(CCCc1noc3cc(F)ccc13)CC2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.47
DRD2 P14416 12/20 0.47
HTR7 P34969 11/20 0.47
HTR6 P50406 11/20 0.47
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD1 P21728 1/20 0.43
OPRM1 P35372 1/20 0.43

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
Oxalic Acid SCHEMBL10691411 0.95 HTR2A (0.46) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL10634163 0.77 ACHE (0.60) HTR2ADRD2HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL10640530 0.77 HTR2A (0.52) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL10972315 0.76 DRD2 (0.54) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL11016952 0.76 HTR2A (0.58) HTR2ADRD2HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL10638219 0.76 ACHE (0.59) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL9473414 0.76 HTR2A (0.42) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL10502596 0.76 HTR2A (0.49) HTR2ADRD2HTR7HTR6HTR1A
SCHEMBL10502438 0.75 DRD2 (0.48) HTR2ADRD2HTR7HTR6
SCHEMBL10502409 0.75 HTR2A (0.45) HTR2ADRD2HTR7HTR6HTR1A

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-4788201-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-11-29 US claimed