SCHEMBL25816704

SCHEMBL25816704

CN(CCCCNC(=O)C1(C)CC1)CCOCCNC(=O)C1(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACHE P22303 6/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
RORC P51449 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 3/20 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
SCHEMBL25816575 0.93 CHRM2 (0.42) CHRM2SMN1; SMN2CYP3A4CYP2C19ACHE
SCHEMBL25817180 0.90 ACHE (0.39) CHRM2HPGDSMN1; SMN2LMNANPSR1
SCHEMBL25816682 0.88 HPGD (0.44) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25837186 0.87 CYP3A4 (0.37) CHRM2HPGDSMN1; SMN2LMNANPSR1
SCHEMBL25816839 0.87 HPGD (0.43) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25817168 0.87 HPGD (0.47) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25817389 0.79 KDM4E (0.48) SMN1; SMN2ACHEMEN1KMT2A
SCHEMBL25817406 0.78 KDM4E (0.47) SMN1; SMN2ACHEMEN1KMT2A
SCHEMBL25817398 0.78 KDM4E (0.52) SMN1; SMN2ACHE
SCHEMBL25817185 0.77 CYP3A4 (0.37) HPGDSMN1; SMN2LMNANPSR1CYP3A4

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