SCHEMBL21464629

SCHEMBL21464629

COC(=O)NC1CCCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.45
▸ CHRNA4 P43681 6/20 0.45
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRNB4 P30926 4/20 0.41
▸ CHRNA3 P32297 4/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HDAC4 P56524 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ PBK Q96KB5 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL25040953 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CA1CA2KDM4E
SCHEMBL16488064 0.89 CTSK (0.43) SLC6A2
SCHEMBL12193497 0.89 CTSK (0.43) SLC6A2
SCHEMBL24789850 0.86 KDM4E (0.49) KDM4EALDH1A1SIGMAR1
SCHEMBL2729991 0.83 CA1 (0.63) CA1CA2
SCHEMBL12440607 0.83 CA1 (0.63) CA1CA2
SCHEMBL5007614 0.83 CA1 (0.63) CA1CA2
SCHEMBL14645713 0.81 KDM4E (0.47) CHRNB2CHRNA4CA1CA2KDM4E
SCHEMBL10211551 0.81 CA1 (0.57) CHRNB2CHRNA4CA1CA2KDM4E
SCHEMBL10061696 0.81 CA1 (0.57) CHRNB2CHRNA4CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774760-A1 PLADIENOLIDE DERIVATIVES AS SPLICEOSOME TARGETING AGENTS FOR TREATING CANCER Eisai R&D Management Co., Ltd. (JP) 2021-02-17 — — EP claimed
WO-2019200100-A1 PLADIENOLIDE DERIVATIVES AS SPLICEOSOME TARGETING AGENTS FOR TREATING CANCER COOK ANDREW (US) 2019-10-17 — — WO claimed
EP-4658653-A1 IMIDAZO[1,2-D][1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 — — EP disclosed
WO-2024160692-A1 IMIDAZO[1,2-D][1,2,4]TRIAZINES AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 — — WO disclosed
EP-3774760-A1 PLADIENOLIDE DERIVATIVES AS SPLICEOSOME TARGETING AGENTS FOR TREATING CANCER Eisai R&D Management Co., Ltd. (JP) 2021-02-17 — — EP disclosed
WO-2019200100-A1 PLADIENOLIDE DERIVATIVES AS SPLICEOSOME TARGETING AGENTS FOR TREATING CANCER COOK ANDREW (US) 2019-10-17 — — WO disclosed
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