SCHEMBL9012474

SCHEMBL9012474

COc1cccc(NCC(C)C)c1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.35
ADRA2A P08913 2/20 0.35
MAPT P10636 2/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1B P35368 3/20 0.33
HTR1A P08908 2/20 0.33
ADRA2C P18825 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPK10 P53779 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PTBP1 P26599 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL9011963 0.87 TAAR1 (0.39) TAAR1
SCHEMBL9012236 0.84 ADRA1A (0.35) ADRA1AADRA2AADRA1DADRA1BHTR1A
SCHEMBL6528639 0.81 IDO1 (0.33) ADRA1AADRA2AADRA1DADRA1BADRA2C
SCHEMBL9011890 0.77 ADRA1D (0.40) ADRA1AADRA2AMAPTADRA1DADRA1B
SCHEMBL9012490 0.77 TSHR (0.39) ADRA1AADRA2AMAPTADRA1DADRA1B
SCHEMBL9012211 0.74 TAAR1 (0.38) ADRA1AADRA1DADRA1BHTR1ATAAR1
SCHEMBL27342985 0.74 ADRA2A (0.40) ADRA1AADRA2AMAPTTAAR1TSHR
SCHEMBL9013435 0.73 TAAR1 (0.34) HTR1ATAAR1
SCHEMBL9011960 0.73 ITK (0.30)
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