SCHEMBL31478730

SCHEMBL31478730

O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCOC[C@@H]1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.48
KMT2A Q03164 2/20 0.44
TLR2 O60603 2/20 0.43
OPRD1 P41143 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
EPHX2 P34913 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4846781 0.84 KDM1A (0.48) CHRM3KMT2ATLR2OPRD1CHRM2
SCHEMBL30538191 0.83 KMT2A (0.42) CHRM3KMT2ATLR2OPRD1EPHX2
SCHEMBL15335111 0.83 CHRM3 (0.53) CHRM3KMT2ATLR2OPRD1CHRM2
Hydrochloric Acid SCHEMBL4154877 0.82 CHRM3 (0.52) CHRM3KMT2ATLR2OPRD1CHRM2
SCHEMBL16485219 0.80 KMT2A (0.52) KMT2ATLR2OPRD1EPHX2
SCHEMBL30716476 0.80 KMT2A (0.52) KMT2ATLR2OPRD1EPHX2
SCHEMBL29776526 0.80 KMT2A (0.52) KMT2ATLR2OPRD1EPHX2
SCHEMBL31217778 0.79 KMT2A (0.51) KMT2ATLR2OPRD1EPHX2
SCHEMBL16867594 0.79 KMT2A (0.56) KMT2AOPRD1EPHX2
SCHEMBL31478725 0.79 KMT2A (0.57) KMT2ATLR2OPRD1EPHX2

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-2025051124-A1 AURISTATIN F ANALOGUE, ANTIBODY DRUG CONJUGATE AND USE THEREOF 诺灵生物医药科技(北京)有限公司 2025-03-13 WO disclosed