SCHEMBL25816458

SCHEMBL25816458

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA4 P43681 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA12 O43570 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
SCHEMBL25816470 0.98 BLM (0.39) CHRM1MEN1KMT2ABLMPMP22
SCHEMBL25836689 0.94 CHRM1 (0.41) CHRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL25816463 0.92 SLC6A4 (0.33) CHRM1MEN1KMT2ABLMPMP22
SCHEMBL11608467 0.91 BLM (0.43) CHRM1BLMPMP22HSD17B10ALDH1A1
SCHEMBL25816467 0.90 SLC6A4 (0.35) CHRM1MEN1KMT2ABLMPMP22
SCHEMBL25816466 0.90 CHRM2 (0.34) CHRM1CHRM2SLC6A4
SCHEMBL25816462 0.87 CHRM1 (0.32) CHRM1
SCHEMBL15224093 0.84 NR1I2 (0.37) CHRM1BLMPMP22HSD17B10ALDH1A1
SCHEMBL5826298 0.83 BLM (0.38) CHRM1BLMPMP22HSD17B10ALDH1A1
SCHEMBL15224095 0.83 HSD17B10 (0.38) CHRM1BLMPMP22HSD17B10ALDH1A1

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