SCHEMBL29951830

SCHEMBL29951830

CNC(=O)CN(C)CC=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MCL1 Q07820 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM7A Q6ZMT4 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL13567026 0.81 MCL1 (0.40) OPRM1OPRL1MCL1LMNAALDH1A1
SCHEMBL24481280 0.80 TRPA1 (0.32)
SCHEMBL29955423 0.79 MCL1 (0.36) MCL1LMNA
SCHEMBL29953331 0.79 ALDH1A1 (0.33) OPRM1OPRL1MCL1LMNAALDH1A1
SCHEMBL29952827 0.78 TSHR (0.38) LMNAALDH1A1
SCHEMBL14392899 0.77 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL16313400 0.77 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL16384464 0.77
SCHEMBL29952699 0.76 KMT2A (0.43) LMNAALDH1A1
SCHEMBL20327085 0.76 CHRNB2 (0.33)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed