SCHEMBL9660310

SCHEMBL9660310

c1ccc(C2CNCC(c3ccccc3)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ADRA2A P08913 2/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL12186391 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL1257711 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3ADRA2A
SCHEMBL15159757 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15154702 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL12186424 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL12186434 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15154765 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2599626 0.86 TSHR (0.43) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL19493871 0.81 SLC6A2 (0.45) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2061940 0.78 CHRNB4 (0.50)

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
US-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
US-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
EP-0403885-A1 Utilization of 3-hydroxybenzothiophens for combatting endoparasites, new 3-hydroxythiophens and process for their preparation BAYER AG (DE) 1990-12-27 EP disclosed