SCHEMBL31390860

SCHEMBL31390860

CCOC(=O)c1cc(Br)cnc1CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.44
▸ DPP4 P27487 5/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL31390961 0.92 OPRK1 (0.44) OPRK1DPP4NPSR1POLBTSHR
SCHEMBL15527865 0.84 OPRK1 (0.48) OPRK1DPP4NPSR1POLBTSHR
SCHEMBL18398582 0.84 OPRK1 (0.48) OPRK1DPP4NPSR1POLBTSHR
SCHEMBL21512801 0.82 OPRK1 (0.46) OPRK1DPP4NPSR1POLBTSHR
SCHEMBL21769766 0.78 OPRK1 (0.44) OPRK1DPP4NPSR1POLBTSHR
SCHEMBL5864153 0.78 OPRK1 (0.50) OPRK1NPSR1POLBTSHRHSD17B10
SCHEMBL15527494 0.78 OPRK1 (0.50) OPRK1NPSR1POLBTSHRHSD17B10
SCHEMBL31213812 0.78 L3MBTL1 (0.42) NPSR1POLBTSHRMEN1NPC1
SCHEMBL10668140 0.77 OPRK1 (0.49) OPRK1NPSR1POLBTSHRHSD17B10
SCHEMBL18020441 0.76 SMN1; SMN2 (0.46) OPRK1NPSR1POLBTSHRHSD17B10

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-2025067457-A1 HETEROCYCLIC FUSED RING COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-04-03 — — WO disclosed
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