SCHEMBL7811901

SCHEMBL7811901

N#Cc1ccc(N2CCN3C[C@@H](CO)C[C@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
DPP4 P27487 2/20 0.40
NOTUM Q6P988 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL7812652 1.00 DRD2 (0.44) DRD2DRD4KDM4ETP53DPP4
SCHEMBL7821927 0.85 DRD4 (0.60) DRD2DRD4
SCHEMBL7821881 0.82 DPP4 (0.45) DRD2DRD4DPP4CHRM4
SCHEMBL7820126 0.80 DRD4 (0.70) DRD2DRD4KDM4ETP53
SCHEMBL7822562 0.78 DRD4 (0.55) DRD2DRD4
SCHEMBL31753332 0.77 HRH3 (0.48) KDM4ETP53DPP4NOTUMCHRNA10
SCHEMBL7820151 0.76 DRD4 (0.52) DRD2DRD4HRH3
SCHEMBL8665307 0.76 DRD4 (0.52) DRD2DRD4HRH3
SCHEMBL21135569 0.75 MEN1 (0.47) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL21136632 0.75 MEN1 (0.47) KDM4ETP53CHRNA10CHRNA9HRH3

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