SCHEMBL27434669

SCHEMBL27434669

COC(=O)c1c(OC)c(Cl)cc2c1OCCN2OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
DRD3 P35462 7/20 0.35
DRD2 P14416 5/20 0.35
DRD4 P21917 4/20 0.35
DRD1 P21728 3/20 0.35
DRD5 P21918 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL27434847 0.83 TAS1R3 (0.36) MAPTTAS1R3TAS1R1TAS1R2DRD3
SCHEMBL27435327 0.83 DRD2 (0.40) DRD3DRD2DRD4DRD1DRD5
SCHEMBL27432939 0.82 MAPT (0.38) MAPTTAS1R3TAS1R1TAS1R2DRD3
SCHEMBL27435508 0.79 DRD3 (0.41) MAPTDRD3DRD2KMT2ATP53
SCHEMBL27435244 0.78 TP53 (0.43) MAPTCYP1A2KMT2AKDM4ECYP2C19
SCHEMBL27435492 0.77 CPT2 (0.32) MAPTTAS1R3TAS1R1TAS1R2DRD3
SCHEMBL27435364 0.77 KCNA3 (0.42) DRD3DRD2DRD4KDM4EHTR1A
SCHEMBL30954135 0.76 POLB (0.44) MAPTKMT2AKDM4EMAPK1MEN1
SCHEMBL30954110 0.76 ENPP2 (0.37) MAPTKMT2AKDM4EHSD17B10TP53
SCHEMBL30954108 0.75 KDM4E (0.43) MAPTTAS1R3TAS1R1TAS1R2DRD3

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-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed