SCHEMBL25868589

SCHEMBL25868589

CN(C)CCOCCC(=O)NN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM7A Q6ZMT4 1/20 0.48
PHF8 Q9UPP1 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
OPRK1 P41145 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DNM1 Q05193 3/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 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
SCHEMBL24674745 0.82 CHRM2 (0.41) OPRK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL23986828 0.81 CA12 (0.42) OPRK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8747962 0.79 KDM7A (0.60) KDM7APHF8KDM2ADNM1MEN1
SCHEMBL25868621 0.78 KDM7A (0.46) KDM7APHF8KDM2ACHRM2CHRM4
SCHEMBL25393813 0.78 DNM1 (0.53) KDM7APHF8KDM2ACHRM2CHRM4
SCHEMBL30997592 0.76 KMT2A (0.52) OPRK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL30997594 0.76 KMT2A (0.52) OPRK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11287710 0.75 BLM (0.45) KDM7APHF8KDM2ACHRM2CHRM4
SCHEMBL14450524 0.75 CHRM1 (0.45) OPRK1CHRM2CHRM4CHRM5CHRM1
Acetone SCHEMBL28266443 0.74 CHRM2 (0.52) OPRK1CHRM2CHRM4CHRM5CHRM1

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-2023137227-A1 MULTI-VESICULAR LIPID NANOPARTICLE TOLEROGENIC VACCINES FOR INDUCTION OF SYSTEMIC IMMUNE TOLERANCE IN VIVO KARMA BIOTECHNOLOGIES (US) 2023-07-20 WO disclosed