SCHEMBL29967912

SCHEMBL29967912

Cc1nc2c(-c3ccc(C4=CCCCC4)cc3)cccc2n1Cc1cccc(CC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.39
PPARG P37231 5/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
GRM2 Q14416 1/20 0.37
CNR2 P34972 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DCTPP1 Q9H773 1/20 0.35

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
SCHEMBL29967971 0.93 PPARG (0.42) P2RX3PPARGDCTPP1
SCHEMBL29967905 0.91 P2RX3 (0.38) P2RX3PPARGPTGDR2CNR2
SCHEMBL29967492 0.91 TP53 (0.39) P2RX3PPARGPTGDR2CNR2
SCHEMBL29967953 0.89 PLA2G10 (0.41) P2RX3PPARGDCTPP1
SCHEMBL29968433 0.86 CYP19A1 (0.39) P2RX3PPARGPTGDR2CNR2
SCHEMBL29967886 0.86 PPARG (0.40) P2RX3PPARG
SCHEMBL29968012 0.86 NR1H4 (0.46) P2RX3PPARGDCTPP1
SCHEMBL29967688 0.85 CNR2 (0.38) P2RX3PPARGCNR2
SCHEMBL29968376 0.84 PPARG (0.41) P2RX3PPARGCNR2
SCHEMBL29968198 0.83 DCTPP1 (0.42) P2RX3PPARGSPHK1DCTPP1

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