SCHEMBL9281370

SCHEMBL9281370

CC(C)[C@H](CN1CCC1)N(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL9101647 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
SCHEMBL9101652 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
SCHEMBL9100128 0.97 POLB (0.44) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
SCHEMBL9108282 0.97 POLB (0.44) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
SCHEMBL9100121 0.97 POLB (0.44) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
SCHEMBL9103602 0.96 POLB (0.46) ALDH1A1POLBCHRM2ADRA2BDRD3
Sulfuric Acid SCHEMBL9279345 0.95 KDM4E (0.40) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
Sulfuric Acid SCHEMBL9279631 0.95 KDM4E (0.40) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
Sulfuric Acid SCHEMBL9101347 0.95 KDM4E (0.40) ALDH1A1KDM4EALOX12NPSR1L3MBTL1
Sulfuric Acid SCHEMBL9101354 0.95 KDM4E (0.40) ALDH1A1KDM4EALOX12NPSR1L3MBTL1

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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