SCHEMBL7325490

SCHEMBL7325490

NC(=S)C1CCc2[nH]cnc2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.38
HTR3A P46098 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ADRA1D P25100 1/20 0.33

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
SCHEMBL7325502 0.87 ADRA1A (0.48) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9049059 0.83 HTR3A (0.39) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL3176458 0.79 ADRA1A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3184840 0.77 ADRA1A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL13531413 0.77 HTR3A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6850928 0.75 HTR3A (0.38) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6847058 0.74 ADRA1A (0.42) ADRA1AOPRK1ADRA1D
Sulfuric Acid SCHEMBL7331483 0.74 ADRA1A (0.38) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL1417641 0.74 HTR3A (0.40) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3453049 0.73 ADRA1A (0.41) ADRA1AOPRK1ADRA1D

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
CN-1027536-C Process for producing 4,5,6,7-tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1995-02-01 CN disclosed
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
CN-1043706-A 4,5,6,7-tetrahydrobenzene benzimidazole derivative preparation method YAMANOUCHI PHARMA CO LTD (JP) 1990-07-11 CN disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed