SCHEMBL28820574

SCHEMBL28820574

CCCCCn1nc(C(C)(C)C)cc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.68
CNR1 P21554 17/20 0.68
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28820571 0.85 CNR2 (0.71) CNR2CNR1
SCHEMBL28289432 0.78 CNR1 (1.00) CNR2CNR1
SCHEMBL28289407 0.76 CNR1 (0.69) CNR2CNR1
SCHEMBL28820586 0.75 CNR1 (0.71) CNR2CNR1
SCHEMBL28289402 0.73 CNR1 (0.69) CNR2CNR1
SCHEMBL28820597 0.73 CNR1 (0.69) CNR2CNR1
SCHEMBL28820579 0.73 CNR1 (0.69) CNR2CNR1
SCHEMBL9895640 0.72 CNR2 (1.00) CNR2CNR1
SCHEMBL28820614 0.72 CNR2 (0.73) CNR2CNR1
SCHEMBL28820582 0.72 CNR1 (0.66) CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516955-A Nitrogenous five-membered aromatic heterocyclic compounds and its preparation method and application 华东师范大学 2019-03-26 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
CN-109516955-A Nitrogenous five-membered aromatic heterocyclic compounds and its preparation method and application 华东师范大学 2019-03-26 CN disclosed