SCHEMBL26032142

SCHEMBL26032142

Cc1c(I)cnn1CCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.33
KDM5A P29375 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL25975699 0.81 CNR1 (0.35) CNR1CNR2POLBKDM5AHTR1A
SCHEMBL27910677 0.79 POLB (0.50) CNR1CNR2POLB
SCHEMBL17610321 0.78 CNR1 (0.34) CNR1CNR2POLBKDM5AHTR1A
SCHEMBL26388630 0.77 POLB (0.34) POLB
SCHEMBL25414795 0.74 LRRK2 (0.40) CNR1CNR2POLB
SCHEMBL19504916 0.74
SCHEMBL30200311 0.69
SCHEMBL24896879 0.69 LRRK2 (0.30)
SCHEMBL22538714 0.68 GLS (0.35) HTR1AHTR7
SCHEMBL1799691 0.68 CNR1 (0.35) 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
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed