SCHEMBL25513646

SCHEMBL25513646

Cc1ccc(-c2c(C)c(C(N)=O)nn2-c2ccc(C)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.47
CNR1 P21554 4/20 0.47
KDM4E B2RXH2 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL25513993 0.88 CNR2 (0.46) CNR2CNR1KDM4E
SCHEMBL25514207 0.87 CNR2 (0.42) CNR2CNR1KDM4E
SCHEMBL12907719 0.83 CNR2 (0.70) CNR2CNR1
SCHEMBL25509478 0.81 CNR2 (0.57) CNR2CNR1
SCHEMBL13532091 0.80 CNR1 (0.48) CNR2CNR1
SCHEMBL29388169 0.77 CNR2 (0.77) CNR2CNR1
SCHEMBL922969 0.77 CNR2 (0.77) CNR2CNR1
SCHEMBL24208982 0.77 CNR1 (0.56) CNR2CNR1
SCHEMBL22244945 0.76 CNR2 (0.61) CNR2CNR1
SCHEMBL12918536 0.75 CNR1 (0.54) CNR2CNR1KDM4EALOX15

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-2023089612-A1 PERIPHERAL CB1 RECEPTOR ANTAGONISTS FOR TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-05-25 WO disclosed