SCHEMBL9013435

SCHEMBL9013435

Cc1cccc(C[S+]([O-])c2ncc[nH]2)c1NCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 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
SCHEMBL9012236 0.86 ADRA1A (0.35) HTR1A
SCHEMBL6528639 0.82 IDO1 (0.33) TAAR1
SCHEMBL9011963 0.82 TAAR1 (0.39) TAAR1
SCHEMBL9011960 0.77 ITK (0.30)
SCHEMBL9012172 0.74 TAAR1 (0.35) TAAR1HTR1A
SCHEMBL9012474 0.73 ADRA1A (0.35) TAAR1HTR1A
SCHEMBL9011890 0.73 ADRA1D (0.40) HTR1A
SCHEMBL9011918 0.72 ADRA2A (0.32) TAAR1HTR1A
SCHEMBL9011917 0.72
SCHEMBL9012324 0.72 PDE3B (0.31)

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