SCHEMBL9741198

SCHEMBL9741198

BrCCCCCCOCCCCC#Cc1cnccn1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33

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
SCHEMBL31036005 0.74 CHRNB2 (0.40) GRM5
SCHEMBL29263693 0.74 CHRNB2 (0.40) GRM5
SCHEMBL9741925 0.72 HDAC3 (0.31)
SCHEMBL9741725 0.69 GRM5 (0.40) GRM5
SCHEMBL17567286 0.69 GRM5 (0.45) GRM5
SCHEMBL5240290 0.69 GRM5 (0.41) GRM5
SCHEMBL102936 0.68 GRM5 (0.42) GRM5
Biphenyl SCHEMBL27555363 0.65 CYP1A2 (0.37) GRM5
SCHEMBL15870932 0.65 GRM5 (0.59) GRM5
SCHEMBL31286309 0.65 GRM5 (0.59) GRM5

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-5149698-A Pyrimidinyl alkyleneoxy bronchodilator agent GLAXO GROUP LIMITED (GB) 1992-09-22 US disclosed
US-4996218-A Bronchodilator, antiulcer agent, cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-02-26 US disclosed
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed