SCHEMBL11249802

SCHEMBL11249802

O=C1c2cc(Cl)ccc2Sc2ccccc2C12CCN(CC1CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.43
OPRM1 P35372 7/20 0.43
OPRK1 P41145 6/20 0.43
HTR2A P28223 3/20 0.43
HRH1 P35367 3/20 0.43
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 5/20 0.38
DRD2 P14416 4/20 0.38
CYP2D6 P10635 3/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2B P41595 2/20 0.37
HTR6 P50406 2/20 0.37
LMNA P02545 2/20 0.37

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 SCHEMBL11252969 0.87 OPRL1 (0.48) OPRL1OPRM1OPRK1HTR2AHRH1
SCHEMBL11255411 0.86 HPGD (0.43) OPRM1OPRK1HTR2AHRH1HPGD
Bromide SCHEMBL11441013 0.85 HPGD (0.42) OPRM1OPRK1HTR2AHRH1HPGD
Bromide SCHEMBL11433552 0.83 HTR2A (0.41) OPRM1OPRK1HTR2AHRH1HPGD
Bromide SCHEMBL11428282 0.83 HTR2A (0.53) OPRK1HTR2AHRH1HPGDL3MBTL1
SCHEMBL11431396 0.83 HTR2A (0.41) OPRM1OPRK1HTR2AHRH1HPGD
Bromide SCHEMBL11242155 0.82 HPGD (0.40) OPRM1OPRK1HTR2AHRH1HPGD
SCHEMBL11441053 0.82 SIGMAR1 (0.53) OPRM1OPRK1HTR2AHRH1HPGD
SCHEMBL11247919 0.82 HRH1 (0.48) OPRM1OPRK1HTR2AHRH1HPGD
Bromide SCHEMBL11258479 0.81 HRH1 (0.47) OPRM1OPRK1HTR2AHRH1HPGD

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-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
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 claimed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US claimed