SCHEMBL25819361

SCHEMBL25819361

CCOCCCCCCOCCOCCOCCCC(=O)N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 5/20 0.48
▸ GNAI1 P63096 5/20 0.48
▸ GNAO1 P09471 4/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL24675781 0.91 GNAI3 (0.58) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL23484812 0.80 GNAI3 (0.51) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL27400094 0.78 GNAI3 (0.42) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL12282233 0.77 KMT2A (0.52) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL13964520 0.76 NPC1 (0.51) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL12282009 0.76 KDM4E (0.49) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL8972852 0.75 GNAI3 (0.71) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL8972071 0.75 GNAI3 (0.71) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL4548016 0.75 GNAI3 (0.71) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL8972364 0.75 GNAI3 (0.71) GNAI3GNAI1GNAO1MEN1KMT2A

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-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
Send feedback