SCHEMBL28076537

SCHEMBL28076537

COc1cc(CC2CCN(CCC(O)Cc3ccc(F)cc3)CC2)c(N)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.45
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2A P28223 2/20 0.40
GRM2 Q14416 1/20 0.40
CCR3 P51677 3/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 3/20 0.39

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
SCHEMBL27997715 0.97 HTR4 (0.47) HTR4HTR1ASLC6A4HTR2AGRM2
SCHEMBL28076881 0.92 HTR1A (0.45) HTR4HTR1ASLC6A4HTR2AGRM2
SCHEMBL28076883 0.89 HTR4 (0.46) HTR4HTR1ASLC6A4HTR2AGRM2
SCHEMBL28076703 0.88 SLC6A2 (0.47) HTR4HTR1ASLC6A4MEN1KMT2A
SCHEMBL28956404 0.84 SLC6A2 (0.47) HTR4SLC6A4MEN1KMT2AMAPK14
SCHEMBL27997533 0.84 SLC6A2 (0.47) HTR4SLC6A4MEN1KMT2AMAPK14
SCHEMBL28830821 0.82 ADRA1D (0.49) HTR4CCR3MEN1KMT2A
SCHEMBL28076798 0.82 HTR1A (0.55) HTR1ASLC6A4HTR2ACCR3OPRM1
SCHEMBL28076576 0.81 GRIN2B (0.41) HTR4HTR1ASLC6A4MEN1KMT2A
SCHEMBL28076710 0.81 TSHR (0.52) MEN1KMT2A

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