SCHEMBL30359136

SCHEMBL30359136

CCCCCNC(=O)N1C2CCC1CNC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.48
▸ GNAO1 P09471 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ EPHX1 P07099 10/20 0.47
▸ PRCP P42785 2/20 0.46
▸ NAAA Q02083 1/20 0.44
▸ NAMPT P43490 2/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL13265399 0.83 KMT2A (0.47) EPHX1
SCHEMBL25851700 0.77 HTT (0.50) EPHX1
SCHEMBL23123839 0.77 CHRM1 (0.41) EPHX1PRCPNAAANAMPTEPHX2
SCHEMBL25424421 0.77 CHRNB2 (0.38) —
SCHEMBL23123303 0.77 CHRM1 (0.44) EPHX1NAAAEPHX2
SCHEMBL23123302 0.77 CHRM1 (0.44) EPHX1NAAAEPHX2
SCHEMBL5217491 0.77 EPHX1 (0.50) EPHX1PRCPNAAANAMPTEPHX2
SCHEMBL3241059 0.75 L3MBTL1 (0.39) GNAI3GNAO1GNAI1EPHX1PRCP
SCHEMBL30417783 0.75 GNAI3 (0.40) GNAI3GNAO1GNAI1EPHX1PRCP
SCHEMBL23123998 0.74 NAMPT (0.49) EPHX1NAAANAMPT

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-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 — — CN disclosed
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