SCHEMBL29149271

SCHEMBL29149271

CCN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cn2)cc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.47
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SCN9A Q15858 4/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
LIPE Q05469 4/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL29149327 1.00 P2RX7 (0.47) P2RX7CNR1CNR2SCN9ASCN10A
SCHEMBL29149267 1.00 P2RX7 (0.47) P2RX7CNR1CNR2SCN9ASCN10A
SCHEMBL29149270 0.90 CNR1 (0.43) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL29149252 0.90 CNR1 (0.43) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL29149249 0.90 CNR1 (0.43) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL29149196 0.88 SCN9A (0.39) P2RX7SCN9ASCN10ASCN7AKCNH2
SCHEMBL29149198 0.87 CNR1 (0.42) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL29149192 0.87 CNR1 (0.42) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL29149231 0.87 CNR1 (0.42) CNR1CNR2SCN9ASCN10ASCN7A
SCHEMBL24750191 0.85 CNR1 (0.42) CNR1CNR2SCN9ASCN10ASCN7A

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-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN claimed
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed