SCHEMBL6444622

SCHEMBL6444622

CN1c2ccccc2N=C(N2CCN(C=O)CC2)c2ccsc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
HRH4 Q9H3N8 3/20 0.43
DRD4 P21917 3/20 0.43
DRD1 P21728 5/20 0.38
LMNA P02545 2/20 0.38
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
HTR3A P46098 2/20 0.38

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
SCHEMBL6354527 0.89 DRD2 (0.53) DRD2HRH4DRD4DRD1LMNA
SCHEMBL6465487 0.83 DRD2 (0.50) DRD2HRH4DRD4DRD1LMNA
SCHEMBL7409000 0.72 HRH4 (0.74) DRD2HRH4DRD4DRD1MAPK1
SCHEMBL7835099 0.71 DRD2 (0.60) DRD2HRH4DRD4DRD1LMNA
SCHEMBL5097988 0.70 DRD2 (0.54) DRD2HRH4DRD4DRD1LMNA
SCHEMBL11636450 0.69 DRD2 (0.59) DRD2HRH4DRD4DRD1LMNA
SCHEMBL14962344 0.69 DRD2 (0.50) DRD2HRH4DRD4DRD1LMNA
SCHEMBL7414566 0.67 DRD2 (0.61) DRD2HRH4DRD4DRD1LMNA
SCHEMBL9179042 0.67 DRD2 (0.50) DRD2HRH4DRD4
SCHEMBL9178858 0.67 HRH4 (0.46) DRD2HRH4DRD4DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513845-A1 A PROCESS FOR THE PREPARATION OF OLANZAPINE AND AN INTERMEDIATE THEREFOR Adamed SP. Z O.O. (PL) 2005-03-16 EP disclosed
WO-2004000847-A1 A PROCESS FOR THE PREPARATION OF OLANZAPINE AND AN INTERMEDIATE THEREFOR ADAMED SP. Z O.O. (PL) 2003-12-31 WO disclosed