Sugi Predict

Sugi Predict / Compounds / SCHEMBL28286254

SCHEMBL28286254

SCHEMBL28286254

CCS(=O)(=O)OC1CCC(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ HCRTR2 O43614 2/20 0.31

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
SCHEMBL14779150 0.91 — —
SCHEMBL14778289 0.91 CA1 (0.37) CA1CA2
SCHEMBL28843820 0.85 ALDH1A1 (0.36) KDM4EALDH1A1ALOX15
SCHEMBL28201496 0.82 CA1 (0.32) CA1CA2HCRTR2
SCHEMBL778390 0.81 CA1 (0.50) CA1CA2
SCHEMBL14779982 0.81 CA1 (0.44) CA1CA2
SCHEMBL14779778 0.81 GRIN1 (0.31) CA1CA2
SCHEMBL4132677 0.80 CA1 (0.31) CA1CA2
SCHEMBL14779532 0.79 CA1 (0.54) ALDH1A1CA1CA2
SCHEMBL14778087 0.79 CA1 (0.54) ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531714-B Imidazopyrazines ketone as PDE1 inhibitor H.隆德贝克有限公司 2019-07-19 — — CN disclosed
CN-107531713-B Imidazotriazinones as PDE1 Inhibitors H.隆德贝克有限公司 2019-07-19 — — CN disclosed
CN-106715438-B Triazolopyrazine ketone as PDE1 inhibitor H.隆德贝克有限公司 2019-04-12 — — CN disclosed