SCHEMBL26465693

SCHEMBL26465693

O=C(CN1CC2CC(C1)N2CC(=O)NC1(C(F)(F)F)CC1)Nc1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.41
AKT1 P31749 1/20 0.39
WNT3A P56704 3/20 0.39
EPHX2 P34913 5/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LHCGR P22888 1/20 0.36

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
SCHEMBL26465825 0.91 ALDH1A1 (0.44) CACNA1HKMT2AMEN1ATMALDH1A1
SCHEMBL26465703 0.90 CACNA1H (0.40) CACNA1HWNT3AEPHX2KMT2AMEN1
SCHEMBL26465688 0.86 HPGD (0.53) CACNA1HKMT2AMEN1ALDH1A1KDM4E
SCHEMBL26465813 0.86 MAPT (0.43) CACNA1HAKT1ALDH1A1KDM4EHPGD
SCHEMBL26465818 0.85 CACNA1H (0.42) CACNA1HAKT1KMT2AMEN1ALDH1A1
SCHEMBL26465692 0.85 CACNA1H (0.45) CACNA1HAKT1WNT3AEPHX2KMT2A
SCHEMBL26466001 0.83 L3MBTL1 (0.48) CACNA1HKMT2AMEN1ALDH1A1KDM4E
SCHEMBL26465564 0.82 CACNA1H (0.43) CACNA1HKMT2AMEN1ATMALDH1A1
SCHEMBL26464489 0.81 CACNA1H (0.38) CACNA1HWNT3AALDH1A1KDM4EGLA
SCHEMBL26465080 0.80 CACNA1H (0.56) CACNA1HKMT2AMEN1HPGD

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