SCHEMBL9011963

SCHEMBL9011963

Cc1cccc(NCC(C)C)c1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
BRD4 O60885 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 1/20 0.31
NR3C1 P04150 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
SCHEMBL9012474 0.87 ADRA1A (0.35) TAAR1
SCHEMBL6528639 0.82 IDO1 (0.33) TAAR1
SCHEMBL9012211 0.82 TAAR1 (0.38) TAAR1BRD4CYP3A4CYP1A2CYP2C19
SCHEMBL9013435 0.82 TAAR1 (0.34) TAAR1
SCHEMBL9327590 0.81 TAAR1 (0.36) TAAR1BRD4
SCHEMBL9011960 0.77 ITK (0.30)
SCHEMBL9012326 0.74 TAAR1 (0.41) TAAR1BRD4CYP3A4CYP1A2CYP2C9
SCHEMBL9012236 0.73 ADRA1A (0.35)
SCHEMBL9011890 0.73 ADRA1D (0.40)
SCHEMBL9011917 0.72

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