SCHEMBL8646992

SCHEMBL8646992

COC(=O)C1Cc2cc(Br)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ BRD4 O60885 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ PNMT P11086 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL21100997 0.90 GAA (0.41) GAAMAPTKMT2AADRA2APNMT
SCHEMBL29057617 0.86 GAA (0.38) GAAMAPTBRD4KMT2AADRA2A
SCHEMBL30358050 0.86 IGF1R (0.46) BRD4KMT2AMEN1POLBSLC6A4
SCHEMBL3893061 0.86 IGF1R (0.46) BRD4KMT2AMEN1POLBSLC6A4
SCHEMBL862757 0.85 MEN1 (0.49) GAAMAPTKMT2AADRA2APNMT
SCHEMBL7043179 0.84 MAPT (0.41) GAAMAPTKMT2AMEN1
SCHEMBL17454452 0.83 GAA (0.42) GAAMAPTBRD4KMT2AADRA2A
SCHEMBL1760643 0.82 ALDH1A1 (0.44) GAAMAPT
SCHEMBL6974512 0.82 GAA (0.40) GAAMAPTKMT2A
SCHEMBL5563634 0.82 PDE5A (0.41) GAAMAPTKMT2AMEN1

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
US-5843972-A Heterocyclic β-adrenergic agonists PFIZER INC. (US) 1998-12-01 — — US disclosed
EP-0801060-A1 Heterocyclic Beta-3 Adrenergenic Agonists PFIZER INC. (US) 1997-10-15 — — EP disclosed
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