SCHEMBL30800280

SCHEMBL30800280

CC(C)NC(=O)CCN1CCC2(CC1)NC(=O)Nc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 3/20 0.59
PDE7A Q13946 1/20 0.50
HRH3 Q9Y5N1 2/20 0.42
CYP3A4 P08684 1/20 0.41
CALCRL Q16602 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC39A7 Q92504 1/20 0.40
PRCP P42785 3/20 0.40
ATM Q13315 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
PLD2 O14939 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL13314938 0.81 PLD1 (0.55) PLD1PDE7AHRH3CYP3A4SLC39A7
SCHEMBL27048955 0.79 PDE7A (0.58) PLD1PDE7AHRH3SLC39A7HTR2A
SCHEMBL13314944 0.78 PDE7A (0.55) PLD1PDE7AHRH3CYP3A4SLC39A7
SCHEMBL9912018 0.75 PDE7A (0.67) PLD1PDE7AKDM4E
SCHEMBL14156534 0.74 PDE7A (0.61) PLD1PDE7ASLC39A7
SCHEMBL13052383 0.72 PDE7A (0.58) PLD1PDE7ACYP3A4KDM4ESLC39A7
SCHEMBL8226037 0.71 OPRL1 (0.66) PLD1PDE7A
SCHEMBL31591553 0.71 PLD1 (0.40) PLD1PDE7AHRH3HTR2AHTR2C
SCHEMBL8222333 0.71 OPRL1 (0.68) PLD1PDE7A
SCHEMBL13068678 0.70 PDE7A (0.67) PLD1PDE7A

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-2024018762-A1 PH-SENSITIVE CATIONIC LIPID AND LIPID NANOPARTICLE 国立大学法人北海道大学 2024-01-25 WO disclosed