SCHEMBL26465813

SCHEMBL26465813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
CACNA1H O95180 2/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 5/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL26465688 0.89 HPGD (0.53) MAPTTP53CACNA1HLMNAALDH1A1
SCHEMBL26465818 0.88 CACNA1H (0.42) MAPTTP53CACNA1HLMNAALDH1A1
SCHEMBL26465825 0.86 ALDH1A1 (0.44) MAPTCACNA1HLMNAALDH1A1USP2
SCHEMBL26465693 0.86 CACNA1H (0.41) CACNA1HALDH1A1HPGDKDM4EGLA
SCHEMBL26465703 0.85 CACNA1H (0.40) MAPTCACNA1HLMNAALDH1A1CYP3A4
SCHEMBL26465810 0.85 CACNA1H (0.47) MAPTTP53CACNA1HLMNAALDH1A1
SCHEMBL26465080 0.82 CACNA1H (0.56) MAPTCACNA1HLMNACYP3A4CYP2D6
SCHEMBL26466097 0.81 CACNA1H (0.45) MAPTTP53CACNA1HLMNAALDH1A1
SCHEMBL26466001 0.80 L3MBTL1 (0.48) MAPTCACNA1HLMNAALDH1A1USP2
SCHEMBL26466012 0.80 CACNA1H (0.45) CACNA1HALDH1A1SMN1; SMN2

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