SCHEMBL26466912

SCHEMBL26466912

O=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.38
LTA4H P09960 1/20 0.36
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 4/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
WNT3A P56704 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL26467001 0.90 LTA4H (0.38) CACNA1HLTA4HKMT2AMAPTMEN1
SCHEMBL26465703 0.90 CACNA1H (0.40) CACNA1HKMT2AMAPTMEN1EPHX2
SCHEMBL26467004 0.89 CACNA1H (0.36) CACNA1HLTA4H
SCHEMBL26466916 0.84 SIGMAR1 (0.42) CACNA1HLTA4HMAPTHPGD
SCHEMBL26466243 0.84 HPGD (0.49) CACNA1HKMT2AMAPTALDH1A1KDM4E
SCHEMBL26466594 0.84 HPGD (0.49) CACNA1HKMT2AMAPTALDH1A1KDM4E
SCHEMBL26466250 0.84 HPGD (0.49) CACNA1HKMT2AMAPTALDH1A1KDM4E
SCHEMBL26466596 0.83 CACNA1H (0.40) CACNA1HLTA4HKMT2AMAPTMEN1
SCHEMBL26466389 0.83 CACNA1H (0.40) CACNA1HLTA4HKMT2AMAPTMEN1
SCHEMBL26466907 0.83 CACNA1H (0.40) CACNA1HLTA4HKMT2AMAPTMEN1

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-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed