SCHEMBL29113209

SCHEMBL29113209

O=C(O)CCCC1CCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.44
▸ PDE3A Q14432 7/20 0.44
▸ NOTUM Q6P988 4/20 0.42
▸ KDR P35968 1/20 0.39
▸ S1PR1 P21453 2/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL26699684 0.94 PDE3B (0.45) PDE3BPDE3ANOTUMKDRFFAR4
SCHEMBL29113210 0.90 PDE3B (0.46) PDE3BPDE3ANOTUMKDRS1PR1
SCHEMBL12649105 0.88 PDE3B (0.47) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL1769918 0.84 PDE3B (0.59) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL13071053 0.80 ALDH1A1 (0.46) PDE3BPDE3ANOTUM
SCHEMBL13071051 0.80 NOTUM (0.62) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL13071049 0.79 PDE3B (0.59) PDE3BPDE3ANOTUMKDR
SCHEMBL25698377 0.79 NOTUM (0.47) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL14767785 0.79 PDE3B (0.46) PDE3BPDE3ANOTUMKDRHRH3
SCHEMBL12649067 0.79 PDE3B (0.46) PDE3BPDE3ANOTUMKDRHRH3

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
CN-117126231-A Peptoid STAT protein degradation agent, composition and application thereof 杭州和正医药有限公司 2023-11-28 — — CN disclosed
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