SCHEMBL9725137

SCHEMBL9725137

O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
DRD2 P14416 5/20 0.54
DRD3 P35462 4/20 0.54
OPRM1 P35372 2/20 0.54
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL9725084 0.93 HTR1A (0.65) HTR1ADRD2DRD3OPRM1HTR2A
SCHEMBL29799616 0.93 HTR1A (0.65) HTR1ADRD2DRD3OPRM1HTR2A
SCHEMBL14762253 0.84 HTR1A (0.58) HTR1ADRD2DRD3LMNANPSR1
SCHEMBL6972081 0.83 DRD3 (0.57) HTR1ADRD2DRD3OPRM1HTR7
Hydrochloric Acid SCHEMBL6712934 0.82 DRD3 (0.56) HTR1ADRD2DRD3OPRM1HTR7
SCHEMBL7082370 0.82 DRD3 (0.56) HTR1ADRD2DRD3OPRM1HTR7
Hydrochloric Acid SCHEMBL6715836 0.81 DRD3 (0.55) HTR1ADRD2DRD3OPRM1HTR7
SCHEMBL2518183 0.77 ADRA1D (0.71) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL14761301 0.77 HTR1A (0.65) HTR1ADRD2DRD3LMNAHTR2A
SCHEMBL14761873 0.77 HTR1A (0.69) HTR1ADRD2DRD3LMNAHTR2A

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-5135931-A Antidepressants, psychological disorders, nervous system disorders AKZO N.V. (NL) 1992-08-04 US disclosed
EP-0462638-A1 Pyridinylpiperazine derivatives Akzo Nobel N.V. (NL) 1991-12-27 EP disclosed