SCHEMBL3946460

SCHEMBL3946460

COC(=O)N1CCCCC1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 6/20 0.42
▸ TSHR P16473 1/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 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
SCHEMBL4845588 0.95 DPP4 (0.44) TSHRDPP4RAB9AALDH1A1SMN1; SMN2
SCHEMBL4615013 0.95 DPP4 (0.44) TSHRDPP4RAB9AALDH1A1SMN1; SMN2
SCHEMBL23854197 0.87 TSHR (0.45) TSHRDPP4RAB9ASMN1; SMN2POLB
SCHEMBL70309 0.84 FKBP1A (0.57) FKBP1ATSHRRAB9ASMN1; SMN2POLB
SCHEMBL9176935 0.84 RAB9A (0.55) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL21225069 0.84 RAB9A (0.55) RAB9AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1478184 0.81 HSD17B10 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL82116 0.81 HSD17B10 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL1478166 0.81 HSD17B10 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL17327535 0.79 CHRM2 (0.42) CA12CA1CA2CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 — — EP disclosed
EP-3436444-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP disclosed
WO-2017171100-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-05 — — WO disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 — — WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 — — WO disclosed
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