SCHEMBL9011902

SCHEMBL9011902

CCNc1ccccc1C[S+]([O-])c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
ADRA2C P18825 3/20 0.34
ADRA2B P18089 2/20 0.34
TAAR1 Q96RJ0 3/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
G6PD P11413 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SYK P43405 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRM5 P41594 1/20 0.30
IDO1 P14902 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
SCHEMBL9012162 0.86 TAAR1 (0.35) ARADRA2CADRA2BTAAR1HTR1A
SCHEMBL6528639 0.86 IDO1 (0.33) ADRA2CTAAR1POLBADRA2AADRA1D
SCHEMBL6483558 0.86 ADRA2A (0.31) ADRA2CTAAR1ADRA2AADRA1DADRA1A
SCHEMBL9012315 0.85 BACE1 (0.42) ADRA2CTAAR1MEN1KMT2A
SCHEMBL9012324 0.85 PDE3B (0.31)
SCHEMBL8517908 0.84 ADRA2A (0.33) ADRA2CADRA2BTAAR1HTR1AADRA2A
SCHEMBL9012386 0.84
SCHEMBL6475931 0.84 UTS2R (0.40) KMT2AADRA1ASMN1; SMN2
SCHEMBL9012030 0.84 ADRA1A (0.36) ADRA2CTAAR1ADRA2AADRA1DADRA1A
SCHEMBL9011918 0.83 ADRA2A (0.32) ADRA2CTAAR1HTR1AADRA2AADRA1D

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