SCHEMBL25361679

SCHEMBL25361679

COc1nc([C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.50
▸ PDE4B Q07343 1/20 0.48
▸ HTT P42858 2/20 0.45
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CTSD P07339 1/20 0.42
▸ CTSE P14091 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ PIK3CA P42336 1/20 0.42

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
SCHEMBL25361414 1.00 TRPV3 (0.50) TRPV3PDE4BHTTALOX5APFEN1
SCHEMBL30496025 1.00 TRPV3 (0.50) TRPV3PDE4BHTTALOX5APFEN1
SCHEMBL31208013 0.94 TRPV3 (0.51) TRPV3PDE4BHTTALOX5APFEN1
SCHEMBL25363244 0.94 TRPV3 (0.51) TRPV3PDE4BHTTALOX5APFEN1
SCHEMBL26024707 0.94 TRPV3 (0.51) TRPV3PDE4BHTTALOX5APFEN1
SCHEMBL22119681 0.93 HTT (0.49) TRPV3HTTMEN1KMT2AALDH1A1
SCHEMBL30087081 0.93 HTT (0.49) TRPV3HTTMEN1KMT2AALDH1A1
SCHEMBL25366217 0.87 TRPV3 (0.52) TRPV3PDE4BHTTMEN1KMT2A
SCHEMBL31208026 0.87 TRPV3 (0.52) TRPV3PDE4BHTTMEN1KMT2A
SCHEMBL26025833 0.87 TRPV3 (0.52) TRPV3PDE4BHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 — — EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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