SCHEMBL26409158

SCHEMBL26409158

O=C(CN1CC2(CCC(C(=O)NC34CCC(CC3)CC4)CC2)C1)NC1(C(F)(F)F)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 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
SCHEMBL26409164 0.93 ALDH1A1 (0.33) CACNA1H
SCHEMBL26409165 0.89 ALDH1A1 (0.43) CACNA1H
SCHEMBL26409689 0.81 CACNA1H (0.45) CACNA1H
SCHEMBL26408705 0.74 NPSR1 (0.40) CACNA1H
SCHEMBL26408685 0.74 TP53 (0.44)
SCHEMBL26408044 0.74 CACNA1H (0.48) CACNA1H
SCHEMBL26408701 0.74 NPSR1 (0.49)
SCHEMBL26409162 0.73
SCHEMBL26409297 0.72
SCHEMBL26409928 0.70 CACNA1H (0.61) CACNA1H

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
WO-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed