SCHEMBL9273443

SCHEMBL9273443

Cc1cc(C(=O)N(C)C(C)C(C)CN2CC(O)C2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ EED O75530 1/20 0.32
▸ GRIK2 Q13002 1/20 0.32

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
SCHEMBL9275957 0.92 HRH3 (0.44) HRH3OPRK1
SCHEMBL9287812 0.91 HTR7 (0.38) HTR7MEN1KMT2AL3MBTL1MAOA
SCHEMBL9279426 0.89 HRH3 (0.39) HRH3HTR7OPRK1MEN1KMT2A
Azd-2927 SCHEMBL9105417 0.87 MAOA (0.36) HRH3OPRK1MEN1KMT2AL3MBTL1
Azd-2927 SCHEMBL9106608 0.87 MAOA (0.36) HRH3OPRK1MEN1KMT2AL3MBTL1
SCHEMBL10232050 0.86 OPRK1 (0.38) HRH3HTR7OPRK1MEN1KMT2A
SCHEMBL9277120 0.86 CHRM2 (0.39) HRH3MEN1KMT2AL3MBTL1MAOA
SCHEMBL9105601 0.84 OPRK1 (0.35) HRH3HTR7OPRK1MEN1KMT2A
SCHEMBL9106299 0.84 OPRK1 (0.35) HRH3HTR7OPRK1MEN1KMT2A
SCHEMBL9102296 0.83 OPRK1 (0.36) HRH3HTR7OPRK1MEN1KMT2A

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