SCHEMBL26466009

SCHEMBL26466009

COc1cc(Cl)cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC2(C(F)(F)F)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CXCR6 O00574 3/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26466006 0.90 CACNA1H (0.53) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26466915 0.89 CACNA1H (0.46) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26465080 0.87 CACNA1H (0.56) CACNA1HCXCR6LMNAMEN1KMT2A
SCHEMBL26465833 0.84 CACNA1H (0.56) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26466001 0.83 L3MBTL1 (0.48) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26465825 0.82 ALDH1A1 (0.44) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26465564 0.82 CACNA1H (0.43) CACNA1HSMN1; SMN2ALDH1A1KDM4ECXCR6
SCHEMBL26466097 0.81 CACNA1H (0.45) CACNA1HALDH1A1KDM4ELMNAMEN1
SCHEMBL26465688 0.81 HPGD (0.53) CACNA1HSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL26466012 0.80 CACNA1H (0.45) CACNA1HSMN1; SMN2ALDH1A1MEN1KMT2A

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