SCHEMBL26465996

SCHEMBL26465996

COc1cc(NC(=O)CN2CC3CC(C2)N3CC(=O)NC(C)(C)C)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
CACNA1H O95180 3/20 0.48
CXCR6 O00574 2/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL26465708 0.89 CACNA1H (0.49) L3MBTL1CACNA1HCXCR6KMT2AALDH1A1
SCHEMBL26466913 0.87 L3MBTL1 (0.48) L3MBTL1CACNA1HCXCR6KMT2AALDH1A1
SCHEMBL26466001 0.84 L3MBTL1 (0.48) L3MBTL1CACNA1HCXCR6KMT2AALDH1A1
SCHEMBL26465699 0.84 HPGD (0.55) L3MBTL1CACNA1HKMT2AALDH1A1LMNA
SCHEMBL26465562 0.82 SMN1; SMN2 (0.57) CACNA1HCXCR6KMT2AALDH1A1CYP1A2
SCHEMBL26464500 0.82 CACNA1H (0.70) CACNA1HCXCR6KMT2AHTTMEN1
SCHEMBL26465833 0.82 CACNA1H (0.56) CACNA1HCXCR6KMT2AALDH1A1LMNA
SCHEMBL26465838 0.81 CACNA1H (0.55) CACNA1HCXCR6ALDH1A1CYP2D6
SCHEMBL26465692 0.81 CACNA1H (0.45) L3MBTL1CACNA1HKMT2AALDH1A1MEN1
SCHEMBL26465696 0.80 CACNA1H (0.44) L3MBTL1CACNA1HALDH1A1KDM4E

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