SCHEMBL9012162

SCHEMBL9012162

CNc1ccccc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.35
HTR1A P08908 1/20 0.35
AR P10275 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL9011902 0.86 AR (0.36) TAAR1HTR1AARADRA2AADRA2C
SCHEMBL8517908 0.86 ADRA2A (0.33) TAAR1HTR1AADRA2AADRA2CADRA1D
SCHEMBL9011918 0.85 ADRA2A (0.32) TAAR1HTR1AADRA2AADRA2CADRA1D
SCHEMBL6528639 0.83 IDO1 (0.33) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL6483558 0.83 ADRA2A (0.31) TAAR1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL9012315 0.82 BACE1 (0.42) TAAR1ADRA2C
SCHEMBL9227608 0.81 TSHR (0.41) TAAR1HTR1A
SCHEMBL9012386 0.81
SCHEMBL6475931 0.81 UTS2R (0.40) ADRA1A
SCHEMBL9012030 0.81 ADRA1A (0.36) TAAR1ADRA2AADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0354788-B1 Novel imidazole derivatives NIPPON CHEMIPHAR CO (JP) 1995-09-13 EP disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
EP-0584588-A1 Anti-ulcer composition containing imidazole derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1994-03-02 EP disclosed
US-5180836-A Antiulcer agents NIPPON CHEMIPHAR CO., LTD. (JP) 1993-01-19 US disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed
EP-0354788-A1 Novel imidazole derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-14 EP disclosed