SCHEMBL9288145

SCHEMBL9288145

C[C@@H](CN1CCCC1)N(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ CHRM2 P08172 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL9100128 0.86 POLB (0.44) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9108282 0.86 POLB (0.44) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9100121 0.86 POLB (0.44) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9103602 0.85 POLB (0.46) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9104417 0.84 POLB (0.43) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9102776 0.84 SLC6A4 (0.44) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9277892 0.84 ALDH1A1 (0.43) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9104412 0.84 HRH3 (0.43) CHRM2HRH3ALDH1A1KDM4EALOX12
SCHEMBL9101647 0.84 ALDH1A1 (0.43) POLBCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL9101652 0.84 ALDH1A1 (0.43) POLBCHRM2ADRA2BDRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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