SCHEMBL29967688

SCHEMBL29967688

Cc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2n1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1B10 O60218 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.37
ACMSD Q8TDX5 1/20 0.36
P2RX3 P56373 2/20 0.36

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
SCHEMBL29967824 0.88 KDM4E (0.49) CNR2CNR1PTGS2KDM4EHSD17B10
SCHEMBL29967971 0.88 PPARG (0.42) PPARGP2RX3
SCHEMBL29967767 0.88 FABP4 (0.37) CNR2CNR1PTGS2KDM4EHSD17B10
SCHEMBL29968433 0.86 CYP19A1 (0.39) CNR2CNR1PTGS2PPARGP2RX3
SCHEMBL29968012 0.86 NR1H4 (0.46) KDM4EPPARGP2RX3
SCHEMBL29967912 0.85 P2RX3 (0.39) CNR2PPARGP2RX3
SCHEMBL29967780 0.84 PPARG (0.45) KDM4EPPARGACMSD
SCHEMBL29968438 0.84 TSHR (0.37) CNR2CNR1PTGS2KDM4EHSD17B10
SCHEMBL29967953 0.83 PLA2G10 (0.41) PPARGP2RX3
SCHEMBL29968198 0.83 DCTPP1 (0.42) PPARGP2RX3

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-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed