SCHEMBL31703439

SCHEMBL31703439

O=C(O)[C@@H]1OCC[C@@H]1c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.40
▸ SLC6A3 Q01959 10/20 0.40
▸ SLC6A2 P23975 8/20 0.40
▸ FPR2 P25090 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
SCHEMBL31703382 0.84 AKR1C3 (0.41) —
SCHEMBL28376946 0.84 AKR1C3 (0.41) —
SCHEMBL28381110 0.78 NPC1 (0.42) —
SCHEMBL28377286 0.78 NPC1 (0.42) —
SCHEMBL31703643 0.78 TSHR (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL2188196 0.74 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2FPR2
SCHEMBL2188200 0.74 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2FPR2
SCHEMBL2188191 0.74 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2FPR2
SCHEMBL14920733 0.74 POLB (0.46) SLC6A4SLC6A3
SCHEMBL31703519 0.74 HDAC4 (0.46) —

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-2025215536-A1 MACROCYCLIC PANRAS INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2025-10-16 — — WO disclosed
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