SCHEMBL7414566

SCHEMBL7414566

CN1CCN(C2=Nc3ccccc3Sc3sccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
DRD3 P35462 4/20 0.61
CHRM1 P11229 3/20 0.61
LMNA P02545 2/20 0.61
CHRM2 P08172 2/20 0.61
HTR1A P08908 2/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
CHRM3 P20309 2/20 0.61
DRD1 P21728 2/20 0.61
HTR2A P28223 2/20 0.61
HTR2C P28335 2/20 0.61
ADRA1A P35348 2/20 0.61
HRH1 P35367 2/20 0.61
OPRM1 P35372 2/20 0.61
HTR2B P41595 2/20 0.61
KCNH2 Q12809 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL144624 0.83 DRD2 (0.74) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL7412542 0.83 HRH4 (0.69) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL12156867 0.81 DRD2 (0.64) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL11883221 0.81 DRD2 (0.45) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL11505496 0.79 DRD2 (0.65) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL11505451 0.78 DRD2 (0.63) DRD2DRD3CHRM1LMNACHRM2
Metiapine SCHEMBL121263 0.77 DRD2 (0.76) DRD2DRD3CHRM1LMNACHRM2
Metiapine SCHEMBL29710898 0.77 DRD2 (0.76) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL11559143 0.77 DRD2 (0.59) DRD2DRD3CHRM1LMNACHRM2
SCHEMBL6354527 0.76 DRD2 (0.53) DRD2DRD3CHRM1LMNACHRM2

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
US-3962248-A PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES SANDOZ, INC. (US) 1976-06-08 US disclosed