SCHEMBL28225670

SCHEMBL28225670

COc1ccc(CC2CCN(CC(C)(O)Oc3ccccc3)CC2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.45
SLC6A4 P31645 9/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
RYR2 Q92736 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL28076607 0.75 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL3577962 0.75 RYR2 (0.49) HTR1ASLC6A4RYR2
SCHEMBL3587135 0.73 PIK3CG (0.52) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL28076704 0.73 GAA (0.56) HTR1ASLC6A4MEN1KMT2AGAA
SCHEMBL3582211 0.72 EPHX2 (0.55) MEN1KMT2ARYR2
SCHEMBL28076624 0.72 HTR1A (0.52) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL28225671 0.72 HTR1A (0.45) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL3586208 0.72 MEN1 (0.43) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL28076582 0.71 CYP2D6 (0.55) HTR1ASLC6A4RYR2GAA
SCHEMBL3574540 0.71 MTNR1A (0.44) HTR1ASLC6A4MEN1POLBKMT2A

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-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