SCHEMBL28820549

SCHEMBL28820549

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

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.66
CNR2 P34972 20/20 0.66

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
SCHEMBL28820525 0.99 CNR1 (0.66) CNR1CNR2
SCHEMBL28948773 0.97 CNR1 (0.65) CNR1CNR2
SCHEMBL28820558 0.92 CNR1 (0.63) CNR1CNR2
SCHEMBL28820726 0.90 CNR1 (0.66) CNR1CNR2
SCHEMBL28820536 0.89 CNR1 (0.67) CNR1CNR2
SCHEMBL28820635 0.85 CNR1 (0.65) CNR1CNR2
SCHEMBL28820728 0.85 CNR1 (0.67) CNR1CNR2
SCHEMBL28820553 0.81 CNR1 (0.64) CNR1CNR2
SCHEMBL28820538 0.80 CNR1 (0.65) CNR1CNR2
SCHEMBL28820582 0.80 CNR1 (0.66) 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 2 patents. 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 claimed
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