SCHEMBL7820151

SCHEMBL7820151

CCOc1cccc(OC[C@H]2C[C@H]3CN(c4ccc(C#N)cc4)CCN3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.52
DRD2 P14416 12/20 0.52
ALDH1A1 P00352 1/20 0.38
NPY1R P25929 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL8665307 1.00 DRD4 (0.52) DRD4DRD2ALDH1A1NPY1RMEN1
SCHEMBL7822562 0.91 DRD4 (0.55) DRD4DRD2HTR1AHTR2A
SCHEMBL7821927 0.87 DRD4 (0.60) DRD4DRD2HTR1AHTR2A
SCHEMBL7820126 0.82 DRD4 (0.70) DRD4DRD2HTR1AHTR2A
SCHEMBL7824302 0.78 DRD4 (0.59) DRD4DRD2NPY1RHTR1AHTR2A
SCHEMBL8593821 0.77 DRD4 (0.49) DRD4DRD2HTR1AHTR2A
SCHEMBL7811956 0.77 DRD4 (0.49) DRD4DRD2HTR1AHTR2A
SCHEMBL8639098 0.77 DRD2 (0.59) DRD4DRD2HTR1AHTR2A
SCHEMBL7811901 0.76 DRD2 (0.44) DRD4DRD2HRH3
SCHEMBL7812652 0.76 DRD2 (0.44) DRD4DRD2HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874849-B1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-09-19 EP disclosed
US-6284757-B1 ANTISEROTINONE AGENT PFIZER INC. 2001-09-04 US disclosed
EP-0982030-A2 2,7-substituted octahydro-pyrrolo 1,2-a]pyrazine derivatives as 5ht 1a ligands Pfizer Products Inc. (US) 2000-03-01 EP disclosed
EP-0874849-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO 1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1998-11-04 EP disclosed
US-5714487-A 2,7-substituted octahydro-pyrrolo 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-02-03 US disclosed
WO-1997023482-A1 2,7-SUBSTITUTED OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-03 WO disclosed