SCHEMBL9380936

SCHEMBL9380936

CC(=O)c1ccc2c(c1)N(CCCBr)c1ccccc1S2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.74
DRD2 P14416 5/20 0.74
ADRA1A P35348 5/20 0.74
DRD3 P35462 5/20 0.74
KCNH2 Q12809 5/20 0.74
SLC6A2 P23975 4/20 0.74
SLC6A4 P31645 4/20 0.74
SLC6A3 Q01959 4/20 0.74
CYP1A2 P05177 4/20 0.74
CYP2D6 P10635 4/20 0.74
LMNA P02545 4/20 0.74
CHRM2 P08172 4/20 0.74
CHRM1 P11229 4/20 0.74
ADRA2A P08913 3/20 0.74
DRD1 P21728 3/20 0.74
OPRM1 P35372 3/20 0.74
TSHR P16473 2/20 0.74
PRNP P04156 2/20 0.74
TBXA2R P21731 1/20 0.74
HRH1 P35367 6/20 0.69

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
SCHEMBL4730313 0.89 HTR1A (0.76) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL24439565 0.89 HRH1 (0.77) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL29062451 0.88 HTR1A (0.74) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL7565495 0.86 HRH1 (0.74) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL9475738 0.86 HTR1A (0.77) HTR1ADRD2ADRA1ADRD3KCNH2
Acepromazine SCHEMBL73018 0.85 CYP2D6 (1.00) HTR1ADRD2ADRA1ADRD3KCNH2
Acepromazine SCHEMBL29441481 0.85 CYP2D6 (1.00) HTR1ADRD2ADRA1ADRD3KCNH2
Acepromazine SCHEMBL28142113 0.85 CYP2D6 (1.00) HTR1ADRD2ADRA1ADRD3KCNH2
Acepromazine SCHEMBL29582179 0.85 CYP2D6 (1.00) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL7566877 0.84 HTR1A (0.70) HTR1ADRD2ADRA1ADRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414422-B1 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1994-04-06 EP disclosed
US-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US disclosed
EP-0414422-A2 2-Oxo-1-oxa-8-azaspiro [4,5] decane derivatives, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-27 EP disclosed