SCHEMBL9012030

SCHEMBL9012030

[O-][S+](Cc1ccccc1NCC(F)(F)F)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL9012386 0.86
SCHEMBL9011902 0.84 AR (0.36) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL9012315 0.81 BACE1 (0.42) ADRA2CTAAR1KDM4E
SCHEMBL9012312 0.81
SCHEMBL8517908 0.81 ADRA2A (0.33) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL9012162 0.81 TAAR1 (0.35) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL6528639 0.81 IDO1 (0.33) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL6483558 0.81 ADRA2A (0.31) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL6475931 0.79 UTS2R (0.40) ADRA1AKDM4E
SCHEMBL9011918 0.78 ADRA2A (0.32) ADRA1AADRA2AADRA2CADRA1DADRA1B

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 3 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-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