SCHEMBL31455312

SCHEMBL31455312

COC(=O)C1CCN(CCc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
HTR2A P28223 2/20 0.41
DRD3 P35462 1/20 0.40
ABCB1 P08183 6/20 0.38
ABCG2 Q9UNQ0 4/20 0.38
JAK2 O60674 1/20 0.36
SYK P43405 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL31455090 0.87 LTA4H (0.47) LTA4HHTR2ADRD3JAK2SYK
SCHEMBL31455642 0.84 ALDH1A1 (0.50)
SCHEMBL31455342 0.82 ALDH1A1 (0.57)
SCHEMBL31455394 0.81 MAPT (0.36) JAK2SYK
SCHEMBL31455328 0.79 DRD4 (0.44) JAK2SYK
SCHEMBL31455425 0.79 GSK3B (0.36) LTA4H
SCHEMBL30802383 0.78 SIGMAR1 (0.52) DRD3
SCHEMBL27227252 0.78 SIGMAR1 (0.52) DRD3
SCHEMBL31455198 0.77 SIGMAR1 (0.41) JAK2SYK
SCHEMBL27438740 0.75 LTA4H (0.67) LTA4HHTR2ADRD3

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed