SCHEMBL22609446

SCHEMBL22609446

C#CCN1CCOC(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.38
▸ HCRTR2 O43614 1/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CTSK P43235 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 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
SCHEMBL21069493 1.00 CACNA1H (0.38) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL21071400 1.00 CACNA1H (0.38) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL31587115 0.82 CACNA1H (0.43) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL28515788 0.81 KDM4E (0.36) CACNA1HALDH1A1TSHRBCHEMAOB
SCHEMBL12021262 0.80 ACKR3 (0.44) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL13492044 0.80 ACKR3 (0.44) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL16020333 0.80 ACKR3 (0.44) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL8807179 0.79 CACNA1H (0.41) CACNA1HHCRTR2DRD2
SCHEMBL19558649 0.79 HCRTR2 (0.41) CACNA1HHCRTR2DRD2MEN1KMT2A
SCHEMBL21166048 0.79 HCRTR2 (0.41) CACNA1HHCRTR2DRD2MEN1KMT2A

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-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 — — EP disclosed
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