SCHEMBL29952552

SCHEMBL29952552

CN(C)CCn1nc(C(C)(C)C)c(C=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
CNR2 P34972 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
SCHEMBL15330148 0.87 KDM4E (0.35) ADRA1AHRH1ADRA1B
SCHEMBL29952664 0.83 CNR1 (0.30) CNR2
SCHEMBL29957974 0.81 CNR1 (0.34) CNR2
SCHEMBL29953949 0.80 ADRA1A (0.36) ADRA1AHRH1ADRA1B
SCHEMBL29951608 0.80
SCHEMBL15331198 0.79
SCHEMBL15330365 0.78 MAPK14 (0.34)
SCHEMBL29951549 0.78 ADRA1A (0.40) ADRA1AHRH1ADRA1B
SCHEMBL15330803 0.77 ADRA1A (0.34) ADRA1AHRH1ADRA1B
SCHEMBL15332670 0.76 NPC1 (0.32)

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