SCHEMBL26465684

SCHEMBL26465684

CC1(NC(=O)CN2C3CC2CN(CC(=O)Nc2ccc(F)c(Cl)c2)C3)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
KMT2A Q03164 5/20 0.48
TSHR P16473 3/20 0.47
CACNA1H O95180 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26466408 0.87 HPGD (0.52) HPGDKMT2ATSHRKDM4EALDH1A1
SCHEMBL26465699 0.85 HPGD (0.55) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26465691 0.83 HPGD (0.53) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26464506 0.77 HPGD (0.48) HPGDKMT2ATSHRALDH1A1MAPT
SCHEMBL26466097 0.77 CACNA1H (0.45) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26465813 0.77 MAPT (0.43) HPGDCACNA1HKDM4EALDH1A1MAPT
SCHEMBL26466243 0.77 HPGD (0.49) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26466250 0.77 HPGD (0.49) HPGDKMT2ATSHRCACNA1HKDM4E
SCHEMBL26466594 0.77 HPGD (0.49) HPGDKMT2ATSHRCACNA1HKDM4E

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