SCHEMBL28820601

SCHEMBL28820601

CCCCCn1nc(C2CCCCC2)cc1C(=O)NCC(C)CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.46
CNR2 P34972 14/20 0.46
PSMB8 P28062 2/20 0.46
PSMB9 P28065 2/20 0.46
PSMB5 P28074 1/20 0.46
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.36
TYK2 P29597 1/20 0.34

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
SCHEMBL28820570 0.95 CNR1 (0.44) CNR1CNR2PSMB8PSMB9PSMB5
SCHEMBL28820545 0.82 CNR1 (0.66) CNR1CNR2PSMB8PSMB9
SCHEMBL28820582 0.78 CNR1 (0.66) CNR1CNR2
SCHEMBL28820576 0.77 CNR1 (0.65) CNR1CNR2
SCHEMBL28820568 0.77 CNR1 (0.65) CNR1CNR2
SCHEMBL28820567 0.77 CNR1 (0.53) CNR1CNR2LMNA
SCHEMBL28820596 0.77 CNR1 (0.65) CNR1CNR2
SCHEMBL28820553 0.76 CNR1 (0.64) CNR1CNR2
SCHEMBL28820548 0.75 NTRK1 (0.41) CNR1CNR2LMNASMN1; SMN2PDE10A
SCHEMBL28820585 0.75 CNR1 (0.61) CNR1CNR2ALDH1A1

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-109516955-B Nitrogen-containing five-membered aromatic heterocyclic compound and preparation method and application thereof 华东师范大学 2022-07-26 CN disclosed