SCHEMBL11243072

SCHEMBL11243072

O=C1c2cc(Cl)ccc2Sc2ccccc2C12CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
DRD2 P14416 4/20 0.45
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
HRH1 P35367 4/20 0.40
HTR2A P28223 3/20 0.40
BACE1 P56817 1/20 0.35
LMNA P02545 4/20 0.35
HTR1A P08908 3/20 0.35
ADRA2A P08913 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
ADRA1A P35348 3/20 0.35
DRD3 P35462 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35

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
Bromide SCHEMBL11247249 0.99 HPGD (0.46) HPGDL3MBTL1DRD2BCHEACHE
SCHEMBL11253567 0.85 L3MBTL1 (0.41) HPGDL3MBTL1DRD2HRH1HTR2A
SCHEMBL11245262 0.85 HTR2A (0.53) DRD2NOX1HRH1HTR2ABACE1
Bromide SCHEMBL11253808 0.84 L3MBTL1 (0.41) HPGDL3MBTL1DRD2HRH1HTR2A
Hydrochloric Acid SCHEMBL11251464 0.84 HTR2A (0.52) DRD2NOX1HRH1HTR2ABACE1
SCHEMBL11247919 0.83 HRH1 (0.48) HPGDL3MBTL1DRD2HRH1HTR2A
Bromide SCHEMBL11258479 0.82 HRH1 (0.47) HPGDL3MBTL1DRD2HRH1HTR2A
SCHEMBL11302518 0.80 HPGD (0.43) HPGDL3MBTL1DRD2BCHEACHE
SCHEMBL11255411 0.80 HPGD (0.43) HPGDL3MBTL1DRD2HRH1HTR2A
Bromide SCHEMBL11441013 0.79 HPGD (0.42) HPGDL3MBTL1DRD2HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013424-B1 SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP claimed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed
EP-0013424-B1 SPIRO(DIBENZO(B,F)THIEPINE-PIPERIDINES), INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed
EP-0013424-A1 Spiro(dibenzo(b,f)thiepine-piperidines), intermediate products for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-23 EP disclosed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed