SCHEMBL8548870

SCHEMBL8548870

Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRM5 P41594 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 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
SCHEMBL4884756 0.81 CYP11B1 (0.35) NPSR1CYP11B1CYP11B2GRM5ADORA2A
SCHEMBL1423935 0.79 CYP11B1 (0.33) NPSR1CYP11B1CYP11B2GRM5ADORA2A
SCHEMBL27766643 0.76 SMN1; SMN2 (0.33) NPSR1CYP11B1CYP11B2GRM5
SCHEMBL5326782 0.75 BRD4 (0.32) NPSR1CYP11B1CYP11B2ADORA3
SCHEMBL5447440 0.75 CYP19A1 (0.36) NPSR1CYP11B1CYP11B2ADORA3TSHR
SCHEMBL9408078 0.69 ALDH1A1 (0.36) NPSR1CYP11B1CYP11B2ADORA2AADORA3
SCHEMBL3500675 0.68 CYP11B1 (0.33) NPSR1CYP11B1CYP11B2
SCHEMBL10913496 0.68 CYP11B1 (0.33) CYP11B1CYP11B2ADORA3TSHR
SCHEMBL2720194 0.67 NPC1 (0.34)
SCHEMBL5240188 0.67 CYP11B1 (0.43) NPSR1CYP11B1CYP11B2ADORA2AADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed