SCHEMBL26466919

SCHEMBL26466919

O=C(CN1C[C@@H]2C[C@H]1CN2CC(=O)NC1(C(F)(F)F)CC1)Nc1cc(F)c(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.42
HPGD P15428 1/20 0.35
KMT2A Q03164 4/20 0.35
LTA4H P09960 1/20 0.35
MAPT P10636 6/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33
NPY2R P49146 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 4/20 0.33
THRB P10828 1/20 0.33
SLC10A1 Q14973 1/20 0.32
MCHR1 Q99705 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL26466097 0.89 CACNA1H (0.45) CACNA1HHPGDKMT2AMAPTMEN1
SCHEMBL26466594 0.88 HPGD (0.49) CACNA1HHPGDKMT2AMAPTSMN1; SMN2
SCHEMBL26466250 0.88 HPGD (0.49) CACNA1HHPGDKMT2AMAPTSMN1; SMN2
SCHEMBL26466243 0.88 HPGD (0.49) CACNA1HHPGDKMT2AMAPTSMN1; SMN2
SCHEMBL26466922 0.86 CACNA1H (0.41) CACNA1HLTA4HMAPTLMNAHTT
SCHEMBL26466233 0.85 CACNA1H (0.53) CACNA1HKMT2ALTA4HMEN1MCHR1
SCHEMBL26466415 0.85 CACNA1H (0.53) CACNA1HKMT2ALTA4HMEN1MCHR1
SCHEMBL26467004 0.84 CACNA1H (0.36) CACNA1HLTA4H
SCHEMBL26466926 0.83 ALDH1A1 (0.47) HPGDKMT2AMAPTMEN1LMNA
SCHEMBL26466909 0.82 CACNA1H (0.44) CACNA1HKMT2ALTA4HMAPTMEN1

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