SCHEMBL8169385

SCHEMBL8169385

N#Cc1ccc(CN2CCN(c3cccccc3=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.54
CCR2 P41597 1/20 0.52
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
COMT P21964 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
DRD2 P14416 4/20 0.48

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
SCHEMBL8168478 0.86 DRD2 (0.57) FAAHMAPTNPSR1TDP1L3MBTL1
SCHEMBL8311608 0.85 MAPT (0.62) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL8168486 0.83 SIGMAR1 (0.65) ADRA1DADRA1AADRA1BMEN1ALDH1A1
SCHEMBL8172162 0.82 ALDH1A1 (0.53) FAAHALDH1A1CYP3A4MAPK1MAPT
SCHEMBL8168762 0.82 LMNA (0.66) FAAHMEN1ALDH1A1MAPK1KMT2A
SCHEMBL10711192 0.81 DRD4 (0.70) FAAHCCR2ADRA1DADRA1AADRA1B
SCHEMBL8646219 0.79 MAPK1 (0.72) ALDH1A1MAPK1KMT2ATDP1DRD2
SCHEMBL28024576 0.79 KCNJ1 (0.66) FAAHCCR2COMTMEN1USP2
SCHEMBL20804360 0.79 KCNJ1 (0.66) FAAHCCR2COMTMEN1USP2
SCHEMBL4834002 0.79 DRD4 (0.70) CCR2ADRA1DADRA1AADRA1BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000516629-A 2000-12-12 JP claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US claimed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP claimed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US disclosed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP disclosed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO disclosed