SCHEMBL30801034

SCHEMBL30801034

FC(F)(F)c1nc(C#CCOC2CCCCO2)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
RORC P51449 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29180444 1.00 GRM5 (0.37) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL29067906 0.97 GRM5 (0.34) GRM5KDM4CRORCL3MBTL1
SCHEMBL19715648 0.84 GRM5 (0.36) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL29068007 0.82 GRM5 (0.35) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL30740316 0.82 GRM5 (0.35) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL29180488 0.82 GRM5 (0.35) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL30452675 0.82 GRM5 (0.35) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL25279093 0.80 GRM5 (0.36) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL29067795 0.77 KDM4C (0.40) GRM5KDM4CRORCL3MBTL1GCK
SCHEMBL22576701 0.74 KDM4C (0.41) GRM5KDM4CRORCL3MBTL1GCK

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
CN-117447450-A Triazole compounds and their use as LPAR1 antagonists 武汉人福创新药物研发中心有限公司 2024-01-26 CN disclosed