SCHEMBL31440035

SCHEMBL31440035

CC(C)(C)OC(=O)NCCCn1cnc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
DYRK1A Q13627 1/20 0.43
BRD4 O60885 5/20 0.41
FPR3 P25089 3/20 0.41
FPR2 P25090 3/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
DRD2 P14416 2/20 0.40
MC4R P32245 1/20 0.40
IDO1 P14902 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40

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
SCHEMBL2144522 0.93 MTNR1A (0.53) CAMK2DMTNR1AMTNR1BDYRK1ABRD4
SCHEMBL24542659 0.86 MCL1 (0.52) CAMK2DDYRK1AFPR3FPR2LMNA
SCHEMBL2144211 0.84 MTNR1A (0.45) CAMK2DMTNR1AMTNR1BDYRK1ABRD4
SCHEMBL17690637 0.81 MTNR1A (0.54) MTNR1AMTNR1BDYRK1ABRD4KDM4E
SCHEMBL15174378 0.80 MAPT (0.57) DYRK1ABRD4STK17BSTK17ADRD2
SCHEMBL15175892 0.80 BRD4 (0.54) BRD4
SCHEMBL30568519 0.79 DRD2 (0.41) DYRK1ABRD4STK17BSTK17AKDM4E
SCHEMBL25344128 0.79 DRD2 (0.41) DYRK1ABRD4STK17BSTK17AKDM4E
SCHEMBL15798230 0.78 DYRK1A (0.56) CAMK2DDYRK1AFPR3FPR2DRD2
SCHEMBL25343224 0.78 PRPS1 (0.43) DYRK1ABRD4STK17BSTK17AKDM4E

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-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed