SCHEMBL26464504

SCHEMBL26464504

CC(C)(C)NC(=O)CN1C2CC1CN(CC(=O)Nc1cccc(C(F)F)c1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.52
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
DRD4 P21917 3/20 0.40
POLB P06746 2/20 0.40
ACKR3 P25106 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL26466216 0.87 CACNA1H (0.47) CACNA1HALDH1A1DRD4POLBACKR3
SCHEMBL26464502 0.87 CACNA1H (0.50) CACNA1HALDH1A1SMN1; SMN2DRD4MAPT
SCHEMBL26464500 0.85 CACNA1H (0.70) CACNA1HDRD4MAPTHTT
SCHEMBL26465812 0.84 CACNA1H (0.47) CACNA1HALDH1A1LMNAPOLBMAPT
SCHEMBL26465562 0.83 SMN1; SMN2 (0.57) CACNA1HALDH1A1SMN1; SMN2DRD4POLB
SCHEMBL26465699 0.81 HPGD (0.55) CACNA1HALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL26465696 0.79 CACNA1H (0.44) CACNA1HALDH1A1DRD4
SCHEMBL26465810 0.78 CACNA1H (0.47) CACNA1HALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL26465838 0.78 CACNA1H (0.55) CACNA1HALDH1A1DRD4
SCHEMBL26465708 0.78 CACNA1H (0.49) CACNA1HALDH1A1MAPTHTT

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