SCHEMBL31334286

SCHEMBL31334286

O=[N+]([O-])c1ccc(C2=CCN(C[C@H]3CC[C@H](CO)CC3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL31333521 0.83 SIGMAR1 (0.44) ACHESIGMAR1ALDH1A1WDR5LMNA
SCHEMBL31333911 0.81 SIGMAR1 (0.38) ACHESLC6A4SIGMAR1ALDH1A1KMT2A
SCHEMBL31333847 0.81 DRD2 (0.58) ALDH1A1DRD2DRD3WDR5
SCHEMBL14810478 0.81 SLC6A4 (0.45) SLC6A4ALDH1A1KMT2ADRD2DRD4
SCHEMBL11224814 0.75 SLC6A4 (0.69) SLC6A4DRD2DRD3DRD4KDM4E
Hydrochloric Acid SCHEMBL11231311 0.75 SLC6A4 (0.69) SLC6A4DRD2DRD3DRD4KDM4E
SCHEMBL10036370 0.75 SLC6A4 (0.62) SLC6A4ALDH1A1KMT2ALMNA
SCHEMBL30736527 0.75 SLC6A4 (0.62) SLC6A4ALDH1A1KMT2ALMNA
SCHEMBL15524421 0.74 ADAM10 (0.43) SLC6A4ALDH1A1KMT2ALMNA
SCHEMBL15524420 0.74 ADAM10 (0.43) SLC6A4ALDH1A1KMT2ALMNA

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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