SCHEMBL8639098

SCHEMBL8639098

N#Cc1cccc(N2CCN3C[C@@H](COc4ccc(F)cc4)C[C@H]3C2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.59
DRD4 P21917 13/20 0.59
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
NOTUM Q6P988 1/20 0.41
FADS1 O60427 2/20 0.40
GRM2 Q14416 1/20 0.40
DRD3 P35462 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
SCHEMBL7820126 0.87 DRD4 (0.70) DRD2DRD4HTR1AHTR2A
SCHEMBL7822562 0.83 DRD4 (0.55) DRD2DRD4HTR1AHTR2A
SCHEMBL7821927 0.81 DRD4 (0.60) DRD2DRD4HTR1AHTR2A
SCHEMBL7994734 0.81 DRD4 (0.60) DRD2DRD4HTR1AHTR2A
SCHEMBL6907064 0.81 DRD4 (0.60) DRD2DRD4HTR1AHTR2A
SCHEMBL6908454 0.77 DRD4 (0.69) DRD2DRD4HTR1AHTR2A
SCHEMBL7812210 0.77 DRD4 (0.69) DRD2DRD4HTR1AHTR2A
SCHEMBL7998001 0.77 DRD4 (0.69) DRD2DRD4HTR1AHTR2A
SCHEMBL7820151 0.77 DRD4 (0.52) DRD2DRD4HTR1AHTR2A
SCHEMBL8665307 0.77 DRD4 (0.52) DRD2DRD4HTR1AHTR2A

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
EP-0874849-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1998-11-04 EP disclosed
WO-1997023482-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-03 WO disclosed