SCHEMBL31363344

SCHEMBL31363344

CN(C)CCN(C)C1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HTR2A P28223 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
SCHEMBL31363723 1.00 KDM4E (0.35) KDM4ECA12CA2CA3CA4
SCHEMBL15247864 0.88 KDM4E (0.40) KDM4ECA12CA2CA3CA4
SCHEMBL14303558 0.87 ALDH1A1 (0.35) KDM4E
SCHEMBL10102970 0.82 DRD2 (0.36) KDM4ECA12CA2CA14HTR2A
SCHEMBL3273602 0.82 DRD2 (0.36) KDM4ECA12CA2CA14HTR2A
SCHEMBL14303972 0.81 KDM4E (0.39) KDM4E
SCHEMBL15473810 0.80 CA12 (0.38) KDM4ECA12CA2CA3CA4
SCHEMBL22200782 0.80 KDM4E (0.31) KDM4E
SCHEMBL22190867 0.80 KDM4E (0.31) KDM4E
SCHEMBL13744841 0.79 ALDH1A1 (0.38) KDM4ECA12CA2CA3CA4

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed