SCHEMBL25698377

SCHEMBL25698377

O=CC1CCN(c2ccc(-c3ccc(=O)[nH]n3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.47
▸ PDE3B Q13370 10/20 0.46
▸ PDE3A Q14432 10/20 0.46
▸ KDR P35968 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL1769918 0.88 PDE3B (0.59) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL13071051 0.85 NOTUM (0.62) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL13071050 0.84 NOTUM (0.61) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL1769796 0.84 NOTUM (0.61) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL29113210 0.84 PDE3B (0.46) NOTUMPDE3BPDE3AKDR
SCHEMBL25189703 0.83 HRH3 (0.39) KDRHRH3KCNH2
SCHEMBL30416695 0.83 HRH3 (0.39) KDRHRH3KCNH2
SCHEMBL12649105 0.83 PDE3B (0.47) NOTUMPDE3BPDE3AKDRHRH3
SCHEMBL13071350 0.83 NOTUM (0.54) NOTUMPDE3BPDE3AKDR
SCHEMBL12649035 0.83 NOTUM (0.51) NOTUMPDE3BPDE3AKDR

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
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 — — WO disclosed
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