SCHEMBL7130405

SCHEMBL7130405

CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 1/20 0.50
OPRD1 P41143 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
DPP4 P27487 2/20 0.47
KDM1A O60341 1/20 0.46
SLC7A5 Q01650 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
ESR2 Q92731 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL6345217 0.89 HDAC8 (0.56) HDAC8OPRD1DPP4GPR119
SCHEMBL3142935 0.86 MEN1 (0.51) MEN1KMT2APOLBKDM1AGPR119
SCHEMBL316881 0.80 LMNA (0.50) MEN1KMT2APOLBOPRD1DPP4
SCHEMBL316880 0.80 LMNA (0.50) MEN1KMT2APOLBOPRD1DPP4
SCHEMBL3360247 0.80 ACKR3 (0.49) HRH2HRH1HTTSMN1; SMN2
SCHEMBL3360242 0.80 ACKR3 (0.49) HRH2HRH1HTTSMN1; SMN2
SCHEMBL14390395 0.80 HDAC8 (0.67) HDAC8OPRD1HRH2HRH1DPP4
SCHEMBL7324837 0.78 KMT2A (0.56) MEN1KMT2ASLC7A5GPR119HTT
SCHEMBL7387226 0.78 KMT2A (0.56) MEN1KMT2ASLC7A5GPR119HTT
SCHEMBL4156092 0.78 VEGFA (0.58) MEN1KMT2AKDM1AHTTESR2

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
WO-2003047515-A2 P2X7 RECEPTOR ANTAGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 WO disclosed