SCHEMBL29698646

SCHEMBL29698646

C#Cc1nc(-c2cccc(CCCCCC)c2)n(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.39
L3MBTL1 Q9Y468 9/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MBTD1 Q05BQ5 4/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53BP1 Q12888 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL1719881 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1719447 0.93 L3MBTL3 (0.39) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1720283 0.91 ACACB (0.38) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1720182 0.90 MAPT (0.38) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1720509 0.88 L3MBTL3 (0.36) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1719045 0.88 L3MBTL3 (0.41) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1719250 0.88 L3MBTL3 (0.41) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1891032 0.87 L3MBTL3 (0.40) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL10207105 0.87 L3MBTL3 (0.40) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1720087 0.85 ACACB (0.41) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
EP-4255903-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Eubulus Biotherapeutics Inc. (CN) 2023-10-11 EP disclosed
WO-2022117064-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC. (CN) 2022-06-09 WO disclosed