SCHEMBL8019057

SCHEMBL8019057

CC1c2ccc(N3CCOCC3)cc2CCN1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
MAOA P21397 3/20 0.49
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
DRD4 P21917 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
LGMN Q99538 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8028909 0.88 OPRD1 (0.53) OPRM1OPRD1MAOASLC6A2SLC6A4
SCHEMBL1009080 0.77 OPRM1 (0.45) OPRM1OPRD1MAOASLC6A2SLC6A4
SCHEMBL1240327 0.75 LGMN (0.46) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL8028683 0.74 TMEM97 (0.56) MAOASLC6A2SLC6A4SLC6A3TMEM97
SCHEMBL21646504 0.74 LGMN (0.49) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL8026503 0.74 MAOA (0.53) OPRM1OPRD1MAOAMEN1MAPT
SCHEMBL8032013 0.73 MAOA (0.56) MAOASLC6A2SLC6A4SLC6A3
SCHEMBL8011243 0.73 MAOA (0.56) OPRM1OPRD1MAOAADRA2AADRA2B
SCHEMBL4752284 0.73 MAOA (0.56) MAOAMAPTKMT2AALDH1A1KDM4E
SCHEMBL3950020 0.73 MAOA (0.56) MAOAMAPTKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed