SCHEMBL8322169

SCHEMBL8322169

N#Cc1ccc(N2CCN(Cc3ccc4ccccc4n3)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
HTR7 P34969 1/20 0.46
DRD4 P21917 6/20 0.46
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
SLC6A4 P31645 1/20 0.44
FAAH O00519 2/20 0.43
AR P10275 3/20 0.43
PARP1 P09874 1/20 0.42
TNK2 Q07912 1/20 0.42
TNK1 Q13470 1/20 0.42
MCHR1 Q99705 1/20 0.40

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
SCHEMBL8322802 0.84 DRD4 (0.50) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8322154 0.81 SLC6A4 (0.47) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8318858 0.79 DRD4 (0.44) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8320500 0.77 HTR1A (0.47) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL17289123 0.75 FAAH (0.65) HTR1AHTR7DRD4FAAHMCHR1
SCHEMBL1331198 0.75 FAAH (0.65) HTR1AHTR7DRD4FAAHMCHR1
SCHEMBL8323715 0.75 SLC6A4 (0.54) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8319517 0.75 FAAH (0.51) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL11785546 0.75 SLC6A4 (0.59) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8323587 0.75 HTR1A (0.55) HTR1AHTR7DRD4DRD2DRD3

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-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed