SCHEMBL30452675

SCHEMBL30452675

N#Cc1nc(C#CCOC2CCCCO2)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GCK P35557 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 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
SCHEMBL29068007 1.00 GRM5 (0.35) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL19715648 0.84 GRM5 (0.36) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL29180488 0.82 GRM5 (0.35) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL30801034 0.82 GRM5 (0.37) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL29180444 0.82 GRM5 (0.37) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL30740316 0.82 GRM5 (0.35) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL25279093 0.80 GRM5 (0.36) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL29067906 0.79 GRM5 (0.34) GRM5KDM4CL3MBTL1RORC
SCHEMBL29067795 0.77 KDM4C (0.40) GRM5KDM4CGCKL3MBTL1NPC1
SCHEMBL22576701 0.74 KDM4C (0.41) GRM5KDM4CGCKL3MBTL1NPC1

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-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 EP disclosed