SCHEMBL26465833

SCHEMBL26465833

COc1cc(Cl)cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.56
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CXCR6 O00574 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CACNA1I Q9P0X4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 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
SCHEMBL26465838 0.91 CACNA1H (0.55) CACNA1HCYP2D6KCNH2ALDH1A1CXCR6
SCHEMBL26465573 0.88 CACNA1H (0.72) CACNA1HALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL26464490 0.86 CACNA1H (0.54) CACNA1HCYP2D6KCNH2CXCR6CACNA1I
SCHEMBL26465562 0.85 SMN1; SMN2 (0.57) CACNA1HCYP2D6ALDH1A1KDM4ECXCR6
SCHEMBL26466009 0.84 CACNA1H (0.49) CACNA1HCYP2D6ALDH1A1KDM4ECXCR6
SCHEMBL26464500 0.83 CACNA1H (0.70) CACNA1HCXCR6MEN1KMT2A
SCHEMBL26465996 0.82 L3MBTL1 (0.52) CACNA1HCYP2D6ALDH1A1KDM4ECXCR6
SCHEMBL26463608 0.80 CACNA1H (0.56) CACNA1HCYP2D6KCNH2CACNA1I
SCHEMBL26465708 0.80 CACNA1H (0.49) CACNA1HALDH1A1KDM4ECXCR6MEN1
SCHEMBL26465699 0.79 HPGD (0.55) CACNA1HCYP2D6ALDH1A1KDM4ESMN1; 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