SCHEMBL25433178

SCHEMBL25433178

CCC12CCCC(C1)N2C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
EPHX2 P34913 3/20 0.40
SNRNP200 O75643 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GRM5 P41594 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
RIPK1 Q13546 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL30886553 0.87 L3MBTL1 (0.40) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30599154 0.74 L3MBTL1 (0.43) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31231628 0.74 EPHX2 (0.42) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31284744 0.72 SNRNP200 (0.42) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30599100 0.71 SNRNP200 (0.41) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31387672 0.71 L3MBTL1 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31284947 0.70 SNRNP200 (0.41) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30599101 0.69 SNRNP200 (0.41) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30599098 0.69 SNRNP200 (0.41) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28301861 0.68 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7

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
WO-2023240084-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-12-14 WO disclosed
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO disclosed