SCHEMBL26465708

SCHEMBL26465708

COc1cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC(C)(C)C)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 4/20 0.44
CXCR6 O00574 4/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 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
SCHEMBL26465692 0.91 CACNA1H (0.45) CACNA1HALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL26465696 0.90 CACNA1H (0.44) CACNA1HALDH1A1KDM4EL3MBTL1
SCHEMBL26465996 0.89 L3MBTL1 (0.52) CACNA1HALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL26466777 0.87 ALDH1A1 (0.45) CACNA1HALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL26465699 0.86 HPGD (0.55) CACNA1HALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL26465810 0.85 CACNA1H (0.47) CACNA1HALDH1A1KDM4EHTTMAPT
SCHEMBL26465812 0.85 CACNA1H (0.47) CACNA1HALDH1A1KDM4EKMT2AMEN1
SCHEMBL26465825 0.85 ALDH1A1 (0.44) CACNA1HALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL26465811 0.83 ALDH1A1 (0.49) CACNA1HALDH1A1KMT2AMEN1TSHR
SCHEMBL26465562 0.82 SMN1; SMN2 (0.57) CACNA1HALDH1A1KDM4EKMT2ACXCR6

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