SCHEMBL9023919

SCHEMBL9023919

CC12COC(c3cncc(Br)c3)(OC1)OC2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL9796682 0.79 KDM4E (0.31) POLBHCAR2
SCHEMBL746011 0.76 CYP11B1 (0.45) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL16195584 0.69 CYP11B2 (0.40) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL24503465 0.68 CHRNB2 (0.36) CHRNB2CHRNA4SLC6A4
SCHEMBL22004708 0.68 POLB (0.35) SLC6A4POLBHCAR2
SCHEMBL21844997 0.67 CHRNA1 (0.30) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL3941090 0.66 POLB (0.35) CHRNB2CHRNA4SLC6A4POLBHCAR2
SCHEMBL23532468 0.66 SLC6A2 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL23532467 0.66 SLC6A2 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL5737267 0.66 POLB (0.32) POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533344-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 EP disclosed