SCHEMBL9012236

SCHEMBL9012236

COc1cccc(C[S+]([O-])c2ncc[nH]2)c1NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.35
ADRA2A P08913 1/20 0.35
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 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
SCHEMBL9013435 0.86 TAAR1 (0.34) HTR1A
SCHEMBL9012474 0.84 ADRA1A (0.35) ADRA1AADRA2AGAAHTR1AADRA1D
SCHEMBL27342985 0.80 ADRA2A (0.40) ADRA1AADRA2AGAA
SCHEMBL6528639 0.80 IDO1 (0.33) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL9011890 0.77 ADRA1D (0.40) ADRA1AADRA2AGAANPC1HTR1A
SCHEMBL9012434 0.76 SMN1; SMN2 (0.40) ADRA1AADRA2AGAA
SCHEMBL9011963 0.73 TAAR1 (0.39)
SCHEMBL9011960 0.73 ITK (0.30)
SCHEMBL9012324 0.72 PDE3B (0.31)
SCHEMBL27358360 0.71 TAAR1 (0.42) ADRA1AADRA2A

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