SCHEMBL28076769

SCHEMBL28076769

COc1ccc(CC2CCN(CCC(O)c3ccccc3Cl)CC2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.52
SLC6A4 P31645 13/20 0.52
RYR2 Q92736 1/20 0.44
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 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
SCHEMBL28076801 0.89 HTR1A (0.52) HTR1ASLC6A4RYR2MAPTALOX12
SCHEMBL28076771 0.85 HTR1A (0.52) HTR1ASLC6A4RYR2
SCHEMBL28076765 0.84 HTR1A (0.52) HTR1ASLC6A4RYR2MAPTALOX12
SCHEMBL28076706 0.82 ACHE (0.43) ACHE
SCHEMBL28076795 0.82 HTR1A (0.46) HTR1ASLC6A4RYR2MAPTALOX12
SCHEMBL28076884 0.81 SLC6A4 (0.52) HTR1ASLC6A4RYR2
SCHEMBL28076638 0.81 HTR1A (0.46) HTR1ASLC6A4RYR2
SCHEMBL28076585 0.78 DRD4 (0.58) MAPT
SCHEMBL28076708 0.77 ADRA1A (0.49) HTR1ASLC6A4RYR2MAPTALOX12
SCHEMBL28076607 0.76 HTR1A (0.58) HTR1ASLC6A4

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-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