SCHEMBL25816839

SCHEMBL25816839

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SPHK1 Q9NYA1 6/20 0.36
POLB P06746 1/20 0.35
SIGMAR1 Q99720 4/20 0.33
APP P05067 2/20 0.33
TMEM97 Q5BJF2 2/20 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
SCHEMBL25816682 0.98 HPGD (0.44) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25817168 0.97 HPGD (0.47) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25816704 0.87 CHRM2 (0.39) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25837045 0.86 DNM1 (0.56)
SCHEMBL25817185 0.85 CYP3A4 (0.37) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25837186 0.84 CYP3A4 (0.37) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25817012 0.81 SMN1; SMN2 (0.42) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25817180 0.81 ACHE (0.39) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL3427647 0.78 SPHK1 (0.54) HPGDSMN1; SMN2LMNANPSR1CYP3A4
SCHEMBL25837121 0.78 CYP3A4 (0.43) 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