SCHEMBL30994643

SCHEMBL30994643

CC(C)(O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
FUCA1 P04066 2/20 0.51
ACHE P22303 2/20 0.51
SLC18A3 Q16572 1/20 0.50
BCHE P06276 1/20 0.48
BACE1 P56817 1/20 0.48
CXCR4 P61073 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR3 P51677 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL7226356 0.84 ALDH1A1 (0.55) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL2485710 0.82 HRH1 (0.55) ALDH1A1ACHESLC18A3BCHEBACE1
SCHEMBL30994683 0.81 FUCA1 (0.62) ALDH1A1FUCA1ACHEHRH1
SCHEMBL29333303 0.81 FUCA1 (0.62) ALDH1A1FUCA1ACHEHRH1
SCHEMBL5157969 0.81 FUCA1 (0.66) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL5157349 0.81 FUCA1 (0.66) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL3778063 0.80 ALDH1A1 (0.46) ALDH1A1FUCA1ACHESLC18A3
SCHEMBL914717 0.80 ACHE (0.60) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL7226969 0.80 ACHE (0.60) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL765298 0.80 ACHE (0.60) ALDH1A1FUCA1ACHESLC18A3BCHE

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-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed