SCHEMBL26408263

SCHEMBL26408263

COc1cc(F)cc(NC(=O)C2CCC3(CC2)CN(CC(=O)NC2(C(F)(F)F)CCC2)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.42
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ACKR3 P25106 2/20 0.37
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL26408251 0.97 CACNA1H (0.43) CACNA1HLMNAMAPTACKR3MGLL
SCHEMBL26409305 0.87 CACNA1H (0.42) CACNA1HLMNAMAPTACKR3MGLL
SCHEMBL26408706 0.86 CACNA1H (0.36) CACNA1HMGLL
SCHEMBL26407859 0.85 CACNA1H (0.56) CACNA1HLMNAMAPTACKR3MGLL
SCHEMBL26408705 0.85 NPSR1 (0.40) CACNA1HLMNAACKR3ALDH1A1KDM4E
SCHEMBL26408695 0.84 SMN1; SMN2 (0.48) MAPTMGLLALDH1A1KDM4ETP53
SCHEMBL26408044 0.83 CACNA1H (0.48) CACNA1HMGLLALDH1A1MEN1KMT2A
SCHEMBL26408443 0.81 ACKR3 (0.40) CACNA1HLMNAMAPTACKR3MGLL
SCHEMBL26408937 0.80 HRH2 (0.40) CACNA1HLMNAALDH1A1KDM4EMEN1
SCHEMBL26411550 0.79 CACNA1H (0.42) CACNA1HMGLLALDH1A1MEN1KMT2A

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