SCHEMBL25816466

SCHEMBL25816466

CC(=O)N(C)CCCCCN(C)CCOCCN(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAOB P27338 1/20 0.33
KDM5A P29375 4/20 0.33
SLC6A4 P31645 3/20 0.33
CHRM1 P11229 1/20 0.32
LSS P48449 1/20 0.32
KDM4C Q9H3R0 4/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM4A O75164 1/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL25816463 0.98 SLC6A4 (0.33) CHRM2BCHEACHES1PR2S1PR1
SCHEMBL25816467 0.96 SLC6A4 (0.35) BCHEACHEMAOBSLC6A4CHRM1
SCHEMBL25816458 0.90 CHRM1 (0.35) CHRM2SLC6A4CHRM1
SCHEMBL25816470 0.88 BLM (0.39) SLC6A4CHRM1
SCHEMBL25836689 0.85 CHRM1 (0.41) CHRM2CHRM1DNM1
SCHEMBL11608467 0.82 BLM (0.43) CHRM2CHRM1
SCHEMBL9787814 0.79 CHRM1 (0.42) KDM5ACHRM1KDM4CPHF8KDM4A
SCHEMBL25816462 0.79 CHRM1 (0.32) CHRM1
SCHEMBL23806665 0.78 KDM5A (0.37) KDM5ACHRM1KDM4C
SCHEMBL23945915 0.78 CES2 (0.53) LSSDNM1

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