SCHEMBL8103844

SCHEMBL8103844

Cc1ccc(=O)n(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.65
SLC6A4 P31645 2/20 0.65
HTR7 P34969 6/20 0.59
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR6 P50406 1/20 0.59
CTSS P25774 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
DRD1 P21728 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL8103442 0.98 HTR2A (0.68) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL8107948 0.94 HTR2A (0.59) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL8102136 0.85 CTSS (0.67) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL7689489 0.85 KCNH2 (0.61) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL8103525 0.83 HTR2A (0.65) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL7685556 0.83 KCNH2 (0.64) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL11465528 0.82 SIGMAR1 (0.76) HTR2AHTR7HTR1ADRD2SIGMAR1
SCHEMBL8402830 0.79 HTR7 (0.58) HTR2ASLC6A4HTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL8554434 0.79 HTR7 (0.64) HTR2ASLC6A4HTR7HTR1ADRD2
SCHEMBL8109562 0.79 DRD2 (0.58) HTR2ASLC6A4HTR7HTR1ADRD2

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-1057820-A1 Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) 2000-12-06 EP claimed