SCHEMBL25833955

SCHEMBL25833955

CCCNC(C)(C)CC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL18780547 0.82 EPHX1 (0.42)
SCHEMBL9942667 0.82 EPHX1 (0.42)
SCHEMBL21768160 0.81 HTR1A (0.31) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL18810402 0.81
SCHEMBL23969483 0.79 HTR1A (0.30) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL9286517 0.79 TDP1 (0.34) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL7054443 0.78
SCHEMBL20698362 0.76
SCHEMBL23773800 0.75 HTR1A (0.36) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL24299787 0.73 HTR1A (0.32) HTR1ACYP2D6SCN1ASLC6A3SCN5A

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-2023116702-A1 PH-SENSITIVE MEMBRANE-BREAKING POLYPEPTIDE AND USE THEREOF 华南理工大学 2023-06-29 WO disclosed