SCHEMBL25816564

SCHEMBL25816564

CC(=O)NCCOCCN(C)CCN(C)CCNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 11/20 0.38
MTNR1B P49286 11/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL25817411 0.98 SMN1; SMN2 (0.41) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25816847 0.96 SMN1; SMN2 (0.42) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25816562 0.94 SMN1; SMN2 (0.44) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25817408 0.93 MEN1 (0.44) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25816846 0.93 MEN1 (0.44) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25817389 0.86 KDM4E (0.48) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL25817398 0.85 KDM4E (0.52) SMN1; SMN2ACHEMTNR1AMTNR1BKDM4E
SCHEMBL25817406 0.85 KDM4E (0.47) SMN1; SMN2ACHEMEN1KMT2AMTNR1A
SCHEMBL13407441 0.82 KDM4E (0.52) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL13135939 0.81 MTNR1A (0.41) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B

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