SCHEMBL31022920

SCHEMBL31022920

CCc1ncc(CC(CC)C(=O)NC)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ BRS3 P32247 1/20 0.31
▸ TSHR P16473 1/20 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
SCHEMBL12775584 0.70 TSHR (0.35) KMT2ARAB9ABRS3TSHRHTR1B
SCHEMBL5201259 0.68 PDE9A (0.40) NPSR1CYP1A2CYP2C9BRS3
SCHEMBL6948633 0.68 — —
SCHEMBL6871426 0.67 — —
SCHEMBL20438536 0.66 MPO (0.38) HTTGAACYP2C19BRS3TSHR
SCHEMBL8493175 0.64 — —
SCHEMBL30993677 0.63 — —
SCHEMBL14037799 0.62 — —
SCHEMBL4506135 0.62 PIN1 (0.46) SMN1; SMN2
SCHEMBL19464661 0.62 HTT (0.59) HTTNPSR1KMT2AMEN1LMNA

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-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 — — WO disclosed
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