SCHEMBL28060870

SCHEMBL28060870

CCC1(NC(=O)O)CCNC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20744106 0.89 HSD17B10 (0.30)
SCHEMBL21856103 0.89 OPRM1 (0.38) OPRM1KDM4EKMT2A
SCHEMBL14831137 0.86 CYP2D6 (0.32) OPRM1KDM4EKMT2A
SCHEMBL22499953 0.83 KDM4E (0.32) KDM4EKMT2A
SCHEMBL23121017 0.81 SLC6A2 (0.32) OPRM1
SCHEMBL20908043 0.78
SCHEMBL3942864 0.77 P2RX7 (0.34) KMT2A
SCHEMBL13738101 0.77 P2RX7 (0.34) KMT2A
SCHEMBL5167704 0.75 SMN1; SMN2 (0.39) KMT2A
SCHEMBL4725793 0.75 KDM4E (0.34) OPRM1KDM4EKMT2A

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
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN disclosed