SCHEMBL26465825

SCHEMBL26465825

COc1cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC2(C(F)(F)F)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
CACNA1H O95180 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 4/20 0.41
HRH2 P25021 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
CXCR6 O00574 4/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26465693 0.91 CACNA1H (0.41) ALDH1A1KDM4ECACNA1HKMT2AMEN1
SCHEMBL26466001 0.90 L3MBTL1 (0.48) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A
SCHEMBL26465703 0.90 CACNA1H (0.40) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A
SCHEMBL26465564 0.89 CACNA1H (0.43) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A
SCHEMBL26465688 0.86 HPGD (0.53) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A
SCHEMBL26465813 0.86 MAPT (0.43) ALDH1A1KDM4ECACNA1HHTTUSP2
SCHEMBL26465818 0.85 CACNA1H (0.42) ALDH1A1KDM4ECACNA1HKMT2ATSHR
SCHEMBL26465708 0.85 CACNA1H (0.49) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A
SCHEMBL26466006 0.83 CACNA1H (0.53) ALDH1A1KDM4ECACNA1HKMT2ACXCR6
SCHEMBL26466009 0.82 CACNA1H (0.49) ALDH1A1KDM4ECACNA1HL3MBTL1KMT2A

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