SCHEMBL28076797

SCHEMBL28076797

COc1cc(N)c(CC2CCN(CCc3ccccc3O)CC2)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.48
SLC6A4 P31645 3/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 1/20 0.42
HTR4 Q13639 3/20 0.42
CCR3 P51677 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL27997525 0.81 MEN1 (0.43) HTR1ASLC6A4MEN1KMT2AACHE
SCHEMBL28076702 0.81 MCHR1 (0.49) HTR1ASLC6A4MEN1KMT2AACHE
SCHEMBL27997532 0.80 MEN1 (0.44) MEN1KMT2AACHEHTR4
SCHEMBL28076607 0.80 HTR1A (0.58) HTR1ASLC6A4CCR3
SCHEMBL27997721 0.79 ADRA1D (0.53) MEN1KMT2AACHE
SCHEMBL27997737 0.79 ADRA1D (0.48) MEN1KMT2AACHEHTR4CCR3
SCHEMBL28816405 0.79 ACHE (0.45) MEN1KMT2AACHEHTR4
SCHEMBL27997756 0.79 HTR4 (0.42) HTR1ASLC6A4MEN1KMT2AACHE
SCHEMBL28076883 0.78 HTR4 (0.46) HTR1ASLC6A4HTR4CCR3
SCHEMBL27997741 0.77 HTR4 (0.42) HTR1AMEN1KMT2AACHEHTR4

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
CN-105646331-B Piperidine compounds, the medical composition and its use containing the compound 爱思开生物制药株式会社 2018-07-03 CN disclosed
CN-103980184-B Piperidine compounds, medical composition and its use containing this compound 爱思开生物制药株式会社 2016-08-24 CN disclosed