SCHEMBL24115366

SCHEMBL24115366

N#CCC1COc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.41
PSMB8 P28062 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAOB P27338 1/20 0.37
CYP19A1 P11511 1/20 0.36
HTR2A P28223 1/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
FFAR1 O14842 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL29960552 0.83 KCNH2 (0.39) PSMB5PSMB8LTB4RLTB4R2HTR2A
SCHEMBL625415 0.83 KCNH2 (0.39) PSMB5PSMB8LTB4RLTB4R2HTR2A
SCHEMBL28208317 0.82 LTB4R (0.41) PSMB5PSMB8LTB4RLTB4R2DRD2
SCHEMBL28207711 0.79 LTB4R (0.39) PSMB5PSMB8LTB4RLTB4R2DRD2
SCHEMBL12614330 0.77 MAOB (0.61) MAOBCYP19A1
SCHEMBL28001184 0.77 CYP3A4 (0.42) MAOBPPARGPPARDMEN1KMT2A
SCHEMBL6099078 0.76 LTB4R (0.47) PSMB5PSMB8LTB4RLTB4R2DRD2
SCHEMBL2316931 0.76 LTB4R (0.47) PSMB5PSMB8LTB4RLTB4R2DRD2
SCHEMBL19574896 0.76 LTB4R (0.44) PSMB5LTB4RLTB4R2DRD2DRD3
SCHEMBL2688677 0.76 LTB4R (0.44) PSMB5LTB4RLTB4R2DRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4197557-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES Gexval Inc. (JP) 2023-06-21 EP disclosed
EP-3925623-A1 MEDICINAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES Gexval Inc. (JP) 2021-12-22 EP disclosed