SCHEMBL29067795

SCHEMBL29067795

Brc1ccc(C#CCOC2CCCCO2)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
GRM5 P41594 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GCK P35557 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 2/20 0.32
DHFR P00374 1/20 0.31
MCHR1 Q99705 1/20 0.31
WEE1 P30291 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
SCHEMBL20120643 0.85 KDM4C (0.40) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL29547563 0.85 KDM4C (0.40) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL20213850 0.85 KDM4C (0.40) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL21058120 0.81 GRM5 (0.42) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL1255880 0.80 GRM5 (0.41) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL30740345 0.80 GRM5 (0.46) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL25279093 0.79 GRM5 (0.36) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL19715648 0.79 GRM5 (0.36) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL25281590 0.78 KDM4C (0.38) KDM4CGRM5L3MBTL1NPC1RAB9A
SCHEMBL30801034 0.77 GRM5 (0.37) KDM4CGRM5L3MBTL1NPC1RAB9A

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-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