SCHEMBL28076593

SCHEMBL28076593

COc1ccc(CC2CCN(OC(C)c3ccc(F)cc3)CC2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.45
SLC6A4 P31645 4/20 0.45
TACR1 P25103 3/20 0.41
EED O75530 1/20 0.38
CCR3 P51677 1/20 0.38
CCR5 P51681 1/20 0.38
RYR2 Q92736 1/20 0.38
GPR6 P46095 1/20 0.37

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
SCHEMBL28076773 0.87 GPR6 (0.38) HTR1ASLC6A4RYR2GPR6
SCHEMBL28076596 0.80 HTR1A (0.54) HTR1ASLC6A4CCR3CCR5
SCHEMBL28076884 0.80 SLC6A4 (0.52) HTR1ASLC6A4CCR3CCR5RYR2
SCHEMBL28076638 0.79 HTR1A (0.46) HTR1ASLC6A4RYR2
SCHEMBL3577962 0.76 RYR2 (0.49) HTR1ASLC6A4RYR2
SCHEMBL28830757 0.76 TSHR (0.60)
SCHEMBL28076798 0.74 HTR1A (0.55) HTR1ASLC6A4CCR3RYR2
SCHEMBL28076620 0.73 HTR1A (0.46) HTR1ASLC6A4CCR3RYR2
SCHEMBL28076591 0.73 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL3586208 0.73 MEN1 (0.43) HTR1ASLC6A4EEDRYR2

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