SCHEMBL30474045

SCHEMBL30474045

COC(=O)c1cc(C#N)ccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ NAMPT P43490 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CYP11B2 P19099 2/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38

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
SCHEMBL25213171 1.00 PTGDR2 (0.43) PTGDR2PDK2PDK4NAMPTKDM4E
SCHEMBL25218839 0.83 PTGDR2 (0.43) PTGDR2ALDH1A1HCRTR2HCRTR1PGR
SCHEMBL25308813 0.81 POLQ (0.43) PTGDR2PDK2PDK4KDM4EALDH1A1
SCHEMBL30526646 0.81 POLQ (0.43) PTGDR2PDK2PDK4KDM4EALDH1A1
SCHEMBL16958769 0.80 CHRNA1 (0.42) PTGDR2HCRTR2CYP11B2CHRNA1CHRNG
SCHEMBL25215887 0.79 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1PGRCHRNA1
SCHEMBL30474051 0.79 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1PGRCHRNA1
SCHEMBL11520744 0.79 CA12 (0.46) PDK2PDK4NAMPTKDM4EALDH1A1
SCHEMBL31459981 0.77 PTGDR2 (0.44) PTGDR2PGRGRM5CHRNA1CHRNG
SCHEMBL24371188 0.77 HCRTR1 (0.44) HCRTR2HCRTR1

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-4441044-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2024-10-09 — — EP disclosed
WO-2023099561-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-06-08 — — WO disclosed
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