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SCHEMBL30104728

SCHEMBL30104728

CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1cc(C(C)(C)C)ccc1F)C2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.58
▸ GPR119 Q8TDV5 6/20 0.48
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23867886 1.00 MGLL (0.58) MGLLGPR119HDAC2HDAC1NAMPT
SCHEMBL23867968 0.89 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL30104720 0.89 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL30104745 0.86 MGLL (0.61) MGLLGPR119NAMPT
SCHEMBL23868042 0.86 MGLL (0.61) MGLLGPR119NAMPT
SCHEMBL30177274 0.84 MGLL (0.54) MGLLGPR119SMN1; SMN2
SCHEMBL23867964 0.83 MGLL (0.62) MGLLGPR119NAMPTSMN1; SMN2
SCHEMBL30104729 0.83 MGLL (0.62) MGLLGPR119NAMPTSMN1; SMN2
SCHEMBL23868000 0.80 MGLL (0.59) MGLLGPR119NAMPT
SCHEMBL29426996 0.80 MGLL (0.59) MGLLGPR119NAMPT

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
CN-115362153-A Aza spiro rings as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 — — CN disclosed