SCHEMBL26706352

SCHEMBL26706352

CC(C)OCCCCCC(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
GNAI3 P08754 4/20 0.42
GNAI1 P63096 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
GNAO1 P09471 3/20 0.37
KCNH2 Q12809 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL26706354 1.00 HRH3 (0.46) HRH3GNAI3GNAI1L3MBTL1KDM4E
SCHEMBL26700717 0.94 HRH3 (0.48) HRH3GNAI3GNAI1L3MBTL1KDM4E
SCHEMBL23735638 0.86 L3MBTL1 (0.56) L3MBTL1ALDH1A1MEN1KMT2ATDP1
SCHEMBL26700706 0.82 HRH3 (0.43) HRH3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL17561993 0.81 GNAI3 (0.63) HRH3GNAI3GNAI1L3MBTL1MEN1
SCHEMBL23730018 0.81 HRH3 (0.47) HRH3GNAI3GNAI1L3MBTL1KDM4E
SCHEMBL18195128 0.81 GNAI3 (0.63) HRH3GNAI3GNAI1L3MBTL1MEN1
SCHEMBL20413347 0.80 KDM4E (0.51) HRH3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL24846722 0.80 HRH3 (0.46) HRH3GNAI3GNAI1L3MBTL1KDM4E
SCHEMBL25443830 0.80 HRH3 (0.46) HRH3GNAI3GNAI1L3MBTL1KDM4E

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
WO-2023215471-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 WO disclosed