SCHEMBL31333847

SCHEMBL31333847

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CC=C(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.58
▸ DRD3 P35462 2/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ADAM10 O14672 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35

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
SCHEMBL31334454 0.87 DRD2 (0.49) DRD2ALDH1A1ADAM10ERBB2CCNT1
SCHEMBL31334286 0.81 ACHE (0.38) DRD2DRD3WDR5ALDH1A1
SCHEMBL27224905 0.81 DRD2 (0.59) DRD2DRD3HTR1AHTR2AALDH1A1
SCHEMBL31333302 0.80 DRD2 (0.42) DRD2ALDH1A1CCNT1CDK9
SCHEMBL31333911 0.79 SIGMAR1 (0.38) DRD2WDR5HTR2AALDH1A1
SCHEMBL31334849 0.78 DRD2 (0.54) DRD2DRD3ALDH1A1KCNA3
SCHEMBL31333521 0.77 SIGMAR1 (0.44) WDR5HTR2AALDH1A1ADAM10ERBB2
SCHEMBL29535433 0.76 PDK4 (0.51) ALDH1A1JAK1CCNT1CDK9
SCHEMBL10036179 0.76 PDK4 (0.51) ALDH1A1JAK1CCNT1CDK9
SCHEMBL30915181 0.75 DRD2 (0.54) DRD2ALDH1A1

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
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