SCHEMBL26464503

SCHEMBL26464503

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1cc(Cl)ccc1F)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.49
CACNA1H O95180 9/20 0.48
NPC1 O15118 1/20 0.46
ANO1 Q5XXA6 1/20 0.44
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL26465710 0.90 HTT (0.50) CACNA1HPOLBMEN1KMT2AALDH1A1
SCHEMBL26465811 0.87 ALDH1A1 (0.49) CACNA1HPOLBPKMMEN1KMT2A
SCHEMBL26466388 0.86 KCNT1 (0.47) KCNT1CACNA1HNPC1ANO1POLB
SCHEMBL26465699 0.85 HPGD (0.55) CACNA1HMEN1KMT2AALDH1A1LMNA
SCHEMBL26464500 0.82 CACNA1H (0.70) KCNT1CACNA1HMEN1KMT2A
SCHEMBL26465838 0.82 CACNA1H (0.55) CACNA1HALDH1A1CACNA1GCACNA1I
SCHEMBL26464490 0.82 CACNA1H (0.54) CACNA1HANO1CACNA1GCACNA1I
SCHEMBL26464783 0.81 CACNA1H (0.46) CACNA1HKMT2ACACNA1GCACNA1I
SCHEMBL26465810 0.80 CACNA1H (0.47) CACNA1HPOLBALDH1A1LMNACACNA1G
SCHEMBL26465812 0.80 CACNA1H (0.47) CACNA1HPOLBMEN1KMT2AALDH1A1

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