SCHEMBL26466207

SCHEMBL26466207

CC(C)(C)NC(=O)CN1CC2CC1CN2CC(=O)Nc1cccc(OC(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.46
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
EPHX2 P34913 1/20 0.44
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.41
CCKBR P32239 1/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
GRM4 Q14833 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IDH1 O75874 2/20 0.40
AKT1 P31749 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
SCHEMBL26466598 1.00 CACNA1H (0.46) CACNA1HKCNJ5KCNJ3EPHX2LTA4H
SCHEMBL26464502 0.87 CACNA1H (0.50) CACNA1HKCNJ5KCNJ3EPHX2KDM4E
SCHEMBL26466237 0.87 CACNA1H (0.54) CACNA1HLTA4HKDM4EMEN1CRHBP
SCHEMBL26466406 0.87 CACNA1H (0.54) CACNA1HLTA4HKDM4EMEN1CRHBP
SCHEMBL26466222 0.87 CACNA1H (0.54) CACNA1HLTA4HKDM4EMEN1CRHBP
SCHEMBL26466770 0.86 CACNA1H (0.42) CACNA1HKCNJ5KCNJ3LTA4HCCKBR
SCHEMBL26466216 0.86 CACNA1H (0.47) CACNA1HLTA4HKDM4ECCKBRALDH1A1
SCHEMBL26466596 0.84 CACNA1H (0.40) CACNA1HEPHX2LTA4HKDM4EMEN1
SCHEMBL26466999 0.83 CACNA1H (0.42) CACNA1HLTA4HKDM4ESMN1; SMN2MEN1
SCHEMBL26466402 0.82 CACNA1H (0.65) CACNA1HCCKBRKMT2A

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