SCHEMBL24015490

SCHEMBL24015490

CC(=O)NCC1CC1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.32
▸ MTNR1B P49286 4/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ FUCA1 P04066 1/20 0.32
▸ SLC6A2 P23975 6/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CALML3 P27482 1/20 0.31
▸ SDHA P31040 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ ENGASE Q8NFI3 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
SCHEMBL24015545 1.00 MTNR1A (0.32) MTNR1AMTNR1BCACNA1HPIK3CDFUCA1
SCHEMBL25587347 0.83 RIPK1 (0.34) —
SCHEMBL25587349 0.83 RIPK1 (0.34) —
SCHEMBL26198187 0.83 RIPK1 (0.34) —
SCHEMBL3394009 0.74 NPC1 (0.43) MTNR1AMTNR1BCACNA1HPIK3CDFUCA1
SCHEMBL12512570 0.73 LMNA (0.37) MTNR1AMTNR1BCACNA1HLMNA
SCHEMBL25608140 0.71 FUCA1 (0.36) MTNR1AMTNR1BCACNA1HFUCA1SLC6A2
SCHEMBL10106984 0.71 CYP2C9 (0.49) MTNR1AMTNR1BCACNA1HFUCA1GLA
SCHEMBL1901026 0.70 FUCA1 (0.39) MTNR1AMTNR1BCACNA1HFUCA1GLA
SCHEMBL25097716 0.68 POLB (0.38) MTNR1AMTNR1BCACNA1HFUCA1GLA

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-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 — — WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 — — WO disclosed
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