SCHEMBL20310817

SCHEMBL20310817

CN1CCC(C2CCCN2C(=O)N2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKR1C3 P42330 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
SCHEMBL17001719 1.00 MEN1 (0.42) MEN1TP53KMT2ACNR2MAPK1
SCHEMBL17001718 0.88 L3MBTL3 (0.42) F13A1TGM2TGM1L3MBTL3SMN1; SMN2
SCHEMBL20311070 0.88 L3MBTL3 (0.42) F13A1TGM2TGM1L3MBTL3SMN1; SMN2
SCHEMBL17001708 0.88 L3MBTL3 (0.42) F13A1TGM2TGM1L3MBTL3SMN1; SMN2
SCHEMBL17001727 0.78 L3MBTL3 (0.38) F13A1TGM2TGM1L3MBTL3SMN1; SMN2
SCHEMBL17001739 0.76 TDP1 (0.46) L3MBTL3SMN1; SMN2NPC1RAB9APOLB
SCHEMBL17001652 0.75 NPC1 (0.43) MEN1KMT2ACNR2L3MBTL3SMN1; SMN2
SCHEMBL18382076 0.75 NPC1 (0.43) MEN1KMT2ACNR2L3MBTL3SMN1; SMN2
SCHEMBL18382062 0.75 DPP4 (0.39) F13A1TGM2TGM1L3MBTL3SMN1; SMN2
SCHEMBL17001714 0.75 DPP4 (0.39) F13A1TGM2TGM1L3MBTL3SMN1; SMN2

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
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 — — EP disclosed
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