SCHEMBL25817163

SCHEMBL25817163

CN(CC(=O)NCCNC(=O)C1(C)CC1)CC(=O)NCCNC(=O)C1(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR3 O14843 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25837121 0.93 CYP3A4 (0.43) MEN1KMT2ARAB9ADRD2DRD4
SCHEMBL25817012 0.93 SMN1; SMN2 (0.42) MEN1KMT2ARAB9ADRD2DRD4
SCHEMBL25817016 0.83 DNM1 (0.50)
SCHEMBL25817185 0.79 CYP3A4 (0.37) MEN1KMT2ADRD2DRD4CYP3A4
SCHEMBL25816682 0.75 HPGD (0.44) MEN1KMT2ADRD2DRD4CYP3A4
SCHEMBL25817168 0.74 HPGD (0.47) DRD2DRD4CYP3A4CYP2C19SMN1; SMN2
SCHEMBL25816839 0.74 HPGD (0.43) DRD2DRD4CYP3A4CYP2C19SMN1; SMN2
SCHEMBL23329478 0.72 POLB (0.47) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL25817161 0.72 MEN1 (0.56) MEN1KMT2ARAB9ACYP2C19SMN1; SMN2
SCHEMBL25816575 0.71 CHRM2 (0.42) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed