SCHEMBL4284069

SCHEMBL4284069

Cc1cncc(C#CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
ALDH1A1 P00352 2/20 0.44
MELK Q14680 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA3 P32297 2/20 0.43
HCAR2 Q8TDS4 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2A6 P11509 2/20 0.33
CHRNA4 P43681 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA2 Q15822 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL32665923 1.00 GRM5 (0.55) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL23781631 0.81 CYP2A6 (0.50) GRM5CHRNB2HCAR2CYP2A6CHRNA4
SCHEMBL13778510 0.78 CYP2A6 (0.56) GRM5ALDH1A1CHRNB2CYP2A6CHRNA4
SCHEMBL23781611 0.78 HCAR2 (0.43) GRM5CHRNB2HCAR2ATMNPC1
SCHEMBL81832 0.77 FFAR1 (0.41) GRM5ALDH1A1MELKKCNJ5KCNJ3
SCHEMBL31044591 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL29170155 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL30750480 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL22031562 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL3722709 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4685143-A1 DOUBLE REGULATOR FOR MGLUR5 AND HDAC6 AND USE THEREOF Vivozon,Inc. (KR) 2026-01-28 EP disclosed
WO-2024196136-A1 DOUBLE REGULATOR FOR MGLUR5 AND HDAC6 AND USE THEREOF 주식회사 비보존 2024-09-26 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed