SCHEMBL31222982

SCHEMBL31222982

Cc1cc(C2CCN(C)CC2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
HTR6 P50406 3/20 0.36
LSS P48449 1/20 0.35
DRD3 P35462 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
TLR9 Q9NR96 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
TLR8 Q9NR97 3/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHEK1 O14757 1/20 0.32
ASAH1 Q13510 1/20 0.32

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
SCHEMBL15031645 0.89 HIF1A (0.33) DRD3DRD2DRD4
SCHEMBL24802990 0.85 QDPR (0.44) QDPRHTR6LSSDRD3HRH3
SCHEMBL31223008 0.85 QDPR (0.44) QDPRHTR6LSSDRD3HRH3
SCHEMBL17669557 0.83 SOS1 (0.32)
SCHEMBL19462211 0.82 HTR1D (0.33)
SCHEMBL578423 0.79 QDPR (0.44) QDPRLSS
SCHEMBL26602086 0.78 LPL (0.30)
SCHEMBL21236510 0.77 RAB9A (0.37)
SCHEMBL29421615 0.77 RAB9A (0.37)
SCHEMBL26601748 0.75

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-4676476-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION Aquinnah Pharmaceuticals, Inc. (US) 2026-01-14 EP disclosed
WO-2024187126-A1 INHIBITORS OF TDP-43 AND TAU AGGREGATION AQUINNAH PHARMACEUTICALS, INC. (US) 2024-09-12 WO disclosed