SCHEMBL22953229

SCHEMBL22953229

O=C(CCc1cn(CCO)nn1)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ DRD2 P14416 4/20 0.33
▸ DRD4 P21917 4/20 0.33
▸ DRD3 P35462 4/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ GBA1 P04062 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ EP300 Q09472 1/20 0.32

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
SCHEMBL24276602 0.89 EP300 (0.42) HDAC1DRD2DRD4DRD3EPHX2
SCHEMBL24276666 0.86 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL24276658 0.84 EPHX2 (0.46) HDAC1EPHX2EP300
SCHEMBL24276640 0.79 L3MBTL1 (0.41) HDAC1
SCHEMBL16330540 0.79 MIF (0.43) HDAC1EPHX2EP300
SCHEMBL24276638 0.78 L3MBTL1 (0.42) HDAC1EPHX2
SCHEMBL24276663 0.76 DGAT1 (0.41) —
SCHEMBL24276664 0.76 DGAT1 (0.41) —
SCHEMBL24276662 0.76 DGAT1 (0.41) —
SCHEMBL12092247 0.76 MIF (0.41) KMT2AHDAC1

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-2021021535-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2021-02-04 — — WO disclosed
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