SCHEMBL26466247

SCHEMBL26466247

CC(C)(NC(=O)CN1C[C@H]2C[C@@H]1CN2CC(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FABP4 P15090 1/20 0.42

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
SCHEMBL26466419 1.00 HPGD (0.50) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466238 1.00 HPGD (0.50) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466230 0.91 HTT (0.55) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466418 0.91 HTT (0.55) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466245 0.91 HTT (0.55) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26465691 0.87 HPGD (0.53) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466385 0.85 CACNA1H (0.41) KMT2AMEN1ALDH1A1
SCHEMBL26466611 0.85 HTT (0.55) HPGDTSHRHTTKDM4EMAPT
SCHEMBL26466408 0.82 HPGD (0.52) HPGDTSHRKDM4EMAPTTP53
SCHEMBL26466243 0.81 HPGD (0.49) HPGDTSHRKDM4EMAPTTP53

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