SCHEMBL25836689

SCHEMBL25836689

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
DNM1 Q05193 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.34
OPRK1 P41145 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 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
SCHEMBL25816458 0.94 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL25816470 0.92 BLM (0.39) CHRM1CA12CA2CA9CA1
SCHEMBL25816463 0.86 SLC6A4 (0.33) CHRM1CHRM2MEN1KMT2A
SCHEMBL11608467 0.85 BLM (0.43) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL25816467 0.85 SLC6A4 (0.35) CHRM1KDM4EALDH1A1MEN1KMT2A
SCHEMBL25816466 0.85 CHRM2 (0.34) CHRM1CHRM2DNM1
SCHEMBL25816462 0.82 CHRM1 (0.32) CHRM1
Acetone SCHEMBL28266443 0.80 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL769551 0.80 CA12 (0.50) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL15224093 0.79 NR1I2 (0.37) CHRM1CHRM2CHRM4CHRM5CHRNB2

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