SCHEMBL30417646

SCHEMBL30417646

O=C(NCc1c(F)cccc1F)N1CC2CNCC2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA4 P43681 15/20 0.46
▸ CHRNB2 P17787 14/20 0.46
▸ CHRNB4 P30926 14/20 0.46
▸ CHRNA3 P32297 14/20 0.46
▸ CHRNA7 P36544 10/20 0.46
▸ HDAC2 Q92769 1/20 0.44
▸ PKM P14618 1/20 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
SCHEMBL22636193 0.79 P2RX7 (0.43) —
SCHEMBL25206798 0.77 ALDH1A1 (0.43) —
SCHEMBL7696764 0.77 KMT2A (0.51) PKM
SCHEMBL25220218 0.76 ALDH1A1 (0.47) PKM
SCHEMBL25195678 0.74 PKM (0.45) PKM
SCHEMBL25210763 0.72 KMT2A (0.48) PKM
SCHEMBL30359179 0.71 ALDH1A1 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL18498223 0.70 CHRNB2 (0.63) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL25436740 0.70 GRIN2B (0.63) HDAC2
SCHEMBL1914357 0.69 GRIN2B (0.64) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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
EP-4452264-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 — — EP disclosed
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
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