SCHEMBL24508486

SCHEMBL24508486

CCCNCCC1CN(CC(C)C)CCO1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
DRD4 P21917 5/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL25468987 0.90 PIK3CD (0.37) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23842181 0.85 PIK3CD (0.42) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL22526354 0.85 PIK3CD (0.42) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23567976 0.85 PIK3CD (0.42) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL24508769 0.84 PIK3CD (0.39) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23602418 0.82 PIK3CD (0.38) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL25702277 0.82 PIK3CD (0.38) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23560022 0.82 PIK3CD (0.38) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23807050 0.82 EPHX1 (0.41) PIK3CDDRD4KDM4EALDH1A1TDP1
SCHEMBL23806884 0.82 EPHX1 (0.41) PIK3CDDRD4KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed