SCHEMBL26408686

SCHEMBL26408686

O=C(CN1CC2(CCC(C(=O)Nc3cccc(Cl)c3)CC2)C1)NC1(C(F)(F)F)CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
MGLL Q99685 3/20 0.41
MALT1 Q9UDY8 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KCNT1 Q5JUK3 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
SCHEMBL26408685 0.96 TP53 (0.44) MAPTTP53KMT2AALPLALPI
SCHEMBL26408701 0.85 NPSR1 (0.49) KMT2AALDH1A1
SCHEMBL26408699 0.85 MALT1 (0.47) KMT2AMALT1GAAHTTALDH1A1
SCHEMBL26408693 0.84 LMNA (0.41) MAPTMGLLLMNAGAAHTT
SCHEMBL26408044 0.84 CACNA1H (0.48) KMT2AMGLLALDH1A1
SCHEMBL26408695 0.83 SMN1; SMN2 (0.48) MAPTTP53KMT2AMGLLGAA
SCHEMBL26408707 0.83 MGLL (0.43) MAPTTP53KMT2AMGLLMALT1
SCHEMBL26407839 0.82 CACNA1H (0.54) MGLLMALT1KCNT1
SCHEMBL26408696 0.82 SMN1; SMN2 (0.47) MAPTTP53KMT2AEPHX2LMNA
SCHEMBL26408948 0.81 SIGMAR1 (0.47) MAPTPOLB

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