SCHEMBL28076576

SCHEMBL28076576

COc1cc(CC2CCN(CCC(O)c3ccccc3F)CC2)c(N)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR4 Q13639 4/20 0.40
ACHE P22303 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A4 P31645 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ADORA2B P29275 1/20 0.38
CCR5 P51681 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL27997756 0.97 HTR4 (0.42) GRIN2BMEN1KMT2AHTR4ACHE
SCHEMBL28076706 0.90 ACHE (0.43) MEN1KMT2AHTR4ACHEDRD2
SCHEMBL27997525 0.90 MEN1 (0.43) MEN1KMT2AHTR4ACHEHTR1A
SCHEMBL28816405 0.86 ACHE (0.45) MEN1KMT2AHTR4ACHEDRD2
SCHEMBL28076703 0.86 SLC6A2 (0.47) GRIN2BMEN1KMT2AHTR4HTR1A
SCHEMBL28076702 0.84 MCHR1 (0.49) GRIN2BMEN1KMT2AACHEHTR1A
SCHEMBL27997559 0.83 ACHE (0.44) MEN1KMT2AHTR4ACHEDRD2
SCHEMBL28956404 0.83 SLC6A2 (0.47) GRIN2BMEN1KMT2AHTR4ACHE
SCHEMBL28076538 0.83 HTR4 (0.44) GRIN2BMEN1KMT2AHTR4ACHE
SCHEMBL27997533 0.83 SLC6A2 (0.47) GRIN2BMEN1KMT2AHTR4ACHE

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 claimed