SCHEMBL7824302

SCHEMBL7824302

CCOc1cccc(OC[C@H]2C[C@H]3CN(c4ncc(F)cn4)CCN3C2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.59
DRD2 P14416 15/20 0.59
HTR1A P08908 1/20 0.59
HTR2A P28223 1/20 0.59
ADORA2A P29274 1/20 0.42
NPY1R P25929 2/20 0.39

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
SCHEMBL7820625 0.87 DRD4 (0.69) DRD4DRD2HTR1AHTR2A
SCHEMBL7820261 0.87 DRD4 (0.58) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7832677 0.86 DRD4 (0.57) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7832682 0.86 DRD4 (0.57) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6907064 0.86 DRD4 (0.60) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7994734 0.86 DRD4 (0.60) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7822811 0.85 DRD4 (0.59) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL7819554 0.84 DRD4 (0.57) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL8588828 0.84 DRD4 (0.57) DRD4DRD2HTR1AHTR2AADORA2A
SCHEMBL6908422 0.84 DRD4 (0.64) DRD4DRD2HTR1AHTR2AADORA2A

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