SCHEMBL27677268

SCHEMBL27677268

CCOc1cccc(Cn2cc(N3CCNCC3N(C)C)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ TAS2R8 Q9NYW2 5/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6283138 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2AROCK2CHRM3
SCHEMBL27677363 0.73 PRMT5 (0.47) ALDH1A1MEN1KMT2AROCK2CHRM3
SCHEMBL6253936 0.68 LMNA (0.44) ALDH1A1MEN1KMT2AKLKB1FAAH
SCHEMBL27445974 0.67 LMNA (0.51) ALDH1A1MEN1KMT2AFAAH
SCHEMBL27695831 0.67 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AROCK2KLKB1
SCHEMBL7511407 0.65 HTR1A (0.57) ALDH1A1CHRM3HTR2BHTR1ADRD2
SCHEMBL27441895 0.65 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AROCK2KLKB1
SCHEMBL27441898 0.65 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AROCK2KLKB1
SCHEMBL6269923 0.65 LMNA (0.45) ALDH1A1MEN1KMT2AFAAHL3MBTL1
SCHEMBL27807338 0.65 SLC6A2 (0.53) HTR2BHTR2AHTR2C

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
CN-101023083-A Nitrogenous fused bicyclic compound TANABE SEIYAKU CO (JP) 2007-08-22 — — CN disclosed
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