SCHEMBL28076591

SCHEMBL28076591

COc1ccc(CC2CCN(OCCc3cccc(F)c3)CC2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.46
SLC6A4 P31645 11/20 0.46
KMT2A Q03164 1/20 0.38

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
SCHEMBL28076596 0.89 HTR1A (0.54) HTR1ASLC6A4KMT2A
SCHEMBL28830777 0.88 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL28076772 0.86 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL28076775 0.80 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL28076639 0.80 HTR1A (0.55) HTR1ASLC6A4
SCHEMBL28076593 0.73 HTR1A (0.45) HTR1ASLC6A4
SCHEMBL3577962 0.73 RYR2 (0.49) HTR1ASLC6A4
SCHEMBL28076795 0.72 HTR1A (0.46) HTR1ASLC6A4KMT2A
SCHEMBL3586208 0.70 MEN1 (0.43) HTR1ASLC6A4KMT2A
SCHEMBL28076638 0.70 HTR1A (0.46) 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 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