SCHEMBL8788970

SCHEMBL8788970

Cc1nc2cc(F)ccc2n1CCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
DRD2 P14416 6/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PTAFR P25105 1/20 0.44
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
SLC6A4 P31645 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
SCHEMBL6839501 0.83 HTR1A (0.48) HTR1AHTR2ASLC6A4
SCHEMBL9053834 0.79 DRD2 (0.50) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8340386 0.79 HTR7 (0.57) DRD2HTR1AHTR2ADRD3SIGMAR1
SCHEMBL8336417 0.79 HTR3E (0.53) HTR1ACCR3SIGMAR1
SCHEMBL8001944 0.78 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8336244 0.78 SIGMAR1 (0.52) DRD2HTR1ASIGMAR1
SCHEMBL8787662 0.77 SIGMAR1 (0.50) DRD2HTR1APARP1PARP2SIGMAR1
SCHEMBL8011291 0.75 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8339799 0.75 KMT2A (0.57) MCHR1
SCHEMBL8788615 0.75 GRM2 (0.42) DRD2HTR1AHTR2ADRD3DRD1

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-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed