SCHEMBL31334397

SCHEMBL31334397

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.59
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 1/20 0.42
DPP4 P27487 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL13419653 0.92 ALDH1A1 (0.48) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL31334991 0.90 DRD2 (0.47) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL27224905 0.89 DRD2 (0.59) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL4294931 0.87 ALDH1A1 (0.51) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL4294932 0.87 ALDH1A1 (0.51) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL31333813 0.86 ALDH1A1 (0.44) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL31334895 0.86 DRD2 (0.62) DRD2JAK2JAK1ACACBACACA
SCHEMBL31333697 0.86 ALDH1A1 (0.49) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL13419563 0.85 ALDH1A1 (0.49) DRD2ALDH1A1LMNAMAPTTHRB
SCHEMBL4762127 0.85 ALDH1A1 (0.49) DRD2ALDH1A1LMNAMAPTTHRB

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed