SCHEMBL9013456

SCHEMBL9013456

CC(C)NC(c1ccccc1)[S+]([O-])c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL9012137 0.87 KDM4E (0.34) TAAR1ADRA2AADRA2BADRA2CHRH4
SCHEMBL9012063 0.83 POLB (0.33) TAAR1HRH4
SCHEMBL17368397 0.71 ALDH1A1 (0.38) TAAR1NISCH
SCHEMBL4685300 0.70 ALDH1A1 (0.37) TAAR1
SCHEMBL5240039 0.69 ADRA2A (0.44) TAAR1MTORADKNISCHADRA2A
SCHEMBL4685296 0.69 ALDH1A1 (0.35) TAAR1
SCHEMBL30864379 0.65 MTOR (0.42) TAAR1MTORADKNISCHADRA2A
SCHEMBL17007042 0.65 SLC6A2 (0.35) ADRA2AADRA2B
SCHEMBL9011918 0.64 ADRA2A (0.32) TAAR1MTORADKNISCHADRA2A
SCHEMBL698729 0.62 ADRA2A (0.60) TAAR1MTORADKNISCHADRA2A

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
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US 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