SCHEMBL28820567

SCHEMBL28820567

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.53
CNR2 P34972 15/20 0.53
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.38
CTSL P07711 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28820582 0.90 CNR1 (0.66) CNR1CNR2
SCHEMBL28820596 0.89 CNR1 (0.65) CNR1CNR2
SCHEMBL28820576 0.89 CNR1 (0.65) CNR1CNR2
SCHEMBL28820568 0.89 CNR1 (0.65) CNR1CNR2
SCHEMBL28820585 0.87 CNR1 (0.61) CNR1CNR2CTSL
SCHEMBL28820563 0.82 CNR1 (0.54) CNR1CNR2GAACTSL
SCHEMBL28820561 0.82 CNR1 (0.52) CNR1CNR2CTSL
SCHEMBL28820550 0.81 CNR1 (0.54) CNR1CNR2GAACTSL
SCHEMBL28820671 0.80 CNR1 (0.52) CNR1CNR2GAACTSL
SCHEMBL28820570 0.80 CNR1 (0.44) CNR1CNR2

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