SCHEMBL26465810

SCHEMBL26465810

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.47
AR P10275 4/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CYP1A2 P05177 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
SCHEMBL26465699 0.87 HPGD (0.55) CACNA1HMAPTTP53LMNAALDH1A1
SCHEMBL26465812 0.86 CACNA1H (0.47) CACNA1HMAPTLMNAALDH1A1CYP3A4
SCHEMBL26465692 0.86 CACNA1H (0.45) CACNA1HALDH1A1HPGDKDM4EGLA
SCHEMBL26465708 0.85 CACNA1H (0.49) CACNA1HMAPTALDH1A1HTTKDM4E
SCHEMBL26465813 0.85 MAPT (0.43) CACNA1HARMAPTTP53LMNA
SCHEMBL26465696 0.83 CACNA1H (0.44) CACNA1HALDH1A1HPGDKDM4EGLA
SCHEMBL26464500 0.81 CACNA1H (0.70) CACNA1HMAPTHTTTDP1
SCHEMBL26465691 0.81 HPGD (0.53) CACNA1HMAPTTP53LMNAALDH1A1
SCHEMBL26465838 0.80 CACNA1H (0.55) CACNA1HALDH1A1CACNA1GCYP2D6
SCHEMBL26464503 0.80 KCNT1 (0.49) CACNA1HLMNAALDH1A1CACNA1GPOLB

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