SCHEMBL26466909

SCHEMBL26466909

Cc1cc(Cl)cc(NC(=O)CN2C[C@@H]3C[C@H]2CN3CC(=O)NC2(C(F)(F)F)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.44
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
LTA4H P09960 1/20 0.35
CXCR6 O00574 1/20 0.35
BCHE P06276 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL26466415 0.89 CACNA1H (0.53) CACNA1HMEN1KMT2AALDH1A1RECQL
SCHEMBL26466233 0.89 CACNA1H (0.53) CACNA1HMEN1KMT2AALDH1A1RECQL
SCHEMBL26466915 0.88 CACNA1H (0.46) CACNA1HMEN1KMT2AALDH1A1LTA4H
SCHEMBL26466926 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP2D6MAPT
SCHEMBL26466594 0.82 HPGD (0.49) CACNA1HKMT2AALDH1A1MCHR1MAPT
SCHEMBL26466916 0.82 SIGMAR1 (0.42) CACNA1HLTA4HDRD4DRD3MAPT
SCHEMBL26466243 0.82 HPGD (0.49) CACNA1HKMT2AALDH1A1MCHR1MAPT
SCHEMBL26466250 0.82 HPGD (0.49) CACNA1HKMT2AALDH1A1MCHR1MAPT
SCHEMBL26466919 0.82 CACNA1H (0.42) CACNA1HMEN1KMT2AALDH1A1LTA4H
SCHEMBL26466621 0.81 CACNA1H (0.47) CACNA1HALDH1A1RECQLLTA4HBCHE

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