SCHEMBL28076585

SCHEMBL28076585

COc1ccc(CC2CCN(CC(O)COc3ccccc3Cl)CC2)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.58
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
GAA P10253 1/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
DRD2 P14416 1/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCB1 P08183 2/20 0.48

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
SCHEMBL28830809 0.87 DRD4 (0.62) DRD4KMT2AMEN1GAAMAPT
SCHEMBL28830757 0.85 TSHR (0.60) DRD4KMT2AMEN1USP2GAA
SCHEMBL27997566 0.84 MEN1 (0.51) DRD4KMT2AMEN1USP2HTT
SCHEMBL28076624 0.83 HTR1A (0.52) DRD4KMT2AMEN1GAAADRB2
SCHEMBL28076582 0.79 CYP2D6 (0.55) DRD4GAAADRB2ADRB1ADRB3
SCHEMBL28076704 0.78 GAA (0.56) DRD4KMT2AMEN1GAAADRB2
SCHEMBL28076769 0.78 HTR1A (0.52) MAPT
SCHEMBL28225671 0.77 HTR1A (0.45) DRD4KMT2AMEN1GAAADRB2
SCHEMBL28816404 0.77 ABCB1 (0.47) DRD4KMT2AMEN1USP2HTT
Hydrochloric Acid SCHEMBL11542328 0.76 KMT2A (0.61) DRD4KMT2AMEN1USP2HTT

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 disclosed