SCHEMBL30905656

SCHEMBL30905656

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.43
DRD2 P14416 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
SIGMAR1 Q99720 6/20 0.41
AKT1 P31749 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR5 P51681 1/20 0.40
PRKAA2 P54646 2/20 0.40
NSD2 O96028 1/20 0.39
DRD4 P21917 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL27227094 1.00 AAK1 (0.43) AAK1DRD2PARP1PARP2SIGMAR1
SCHEMBL27227030 0.88 PRKAA2 (0.46) AAK1PARP1PARP2SIGMAR1AKT1
SCHEMBL30905662 0.88 PRKAA2 (0.46) AAK1PARP1PARP2SIGMAR1AKT1
SCHEMBL30802282 0.87 SIGMAR1 (0.48) DRD2SIGMAR1MAPK1PRKAA2DRD4
SCHEMBL30802459 0.86 AKT1 (0.49) AAK1DRD2PARP1PARP2SIGMAR1
SCHEMBL29324395 0.86 AKT1 (0.49) AAK1DRD2PARP1PARP2SIGMAR1
SCHEMBL30802301 0.85 MAPT (0.43) POLBMAPTMAPK1
SCHEMBL27226398 0.85 MAPT (0.43) POLBMAPTMAPK1
SCHEMBL27227414 0.83 SIGMAR1 (0.44) AAK1DRD2PARP1PARP2SIGMAR1
SCHEMBL2173703 0.80 IGF1R (0.47) POLBMAPTMAPK1

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-2024107565-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed