SCHEMBL31455328

SCHEMBL31455328

COC(=O)CC1CCN(Cc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
ACHE P22303 4/20 0.41
FAAH O00519 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.40
JAK2 O60674 1/20 0.40
SYK P43405 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
SCHEMBL31455311 0.86 DRD2 (0.46) DRD4DRD2ACHESIGMAR1POLB
SCHEMBL31455198 0.85 SIGMAR1 (0.41) ACHEFAAHSIGMAR1BCHEJAK2
SCHEMBL30802383 0.84 SIGMAR1 (0.52) DRD4DRD2ACHESIGMAR1BCHE
SCHEMBL27227252 0.84 SIGMAR1 (0.52) DRD4DRD2ACHESIGMAR1BCHE
SCHEMBL30802389 0.82 SIGMAR1 (0.46) DRD4SIGMAR1
SCHEMBL27226835 0.82 SIGMAR1 (0.46) DRD4SIGMAR1
SCHEMBL27225984 0.80 JAK2 (0.44) FAAHJAK2SYK
SCHEMBL30802461 0.80 JAK2 (0.44) FAAHJAK2SYK
SCHEMBL31455312 0.79 LTA4H (0.45) JAK2SYK
SCHEMBL31455394 0.78 MAPT (0.36) JAK2SYK

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