SCHEMBL31607756

SCHEMBL31607756

CCOC(=O)c1cn(C)c2c1CN(CCNC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.41
▸ DRD3 P35462 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CACNA1H O95180 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL31607750 0.80 DRD2 (0.41) DRD2DRD3SIGMAR1CACNA1HMEN1
SCHEMBL27139330 0.75 HDAC6 (0.42) DRD2DRD3SIGMAR1ADORA1MEN1
SCHEMBL30782338 0.75 TNF (0.46) DRD2DRD3SIGMAR1MEN1ALDH1A1
SCHEMBL27140818 0.73 DRD2 (0.44) DRD2SIGMAR1CACNA1HMEN1ALDH1A1
SCHEMBL30945677 0.70 DRD2 (0.65) DRD2SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL21214308 0.70 DRD2 (0.55) DRD2SIGMAR1CACNA1HJAK2JAK1
SCHEMBL13975920 0.69 DRD2 (0.50) DRD2SIGMAR1CACNA1H
SCHEMBL12507566 0.69 DRD2 (0.53) DRD2DRD3SIGMAR1
SCHEMBL21068502 0.69 DRD2 (0.56) DRD2ALDH1A1TSHR
SCHEMBL24172673 0.69 DRD2 (0.56) DRD2SIGMAR1CACNA1HMEN1KMT2A

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-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
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