SCHEMBL31233140

SCHEMBL31233140

O=C(Oc1ccccc1)N1CCC[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDE4B Q07343 1/20 0.52
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD11B1 P28845 2/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL31233182 0.91 ALDH1A1 (0.59) ALDH1A1GAAPDE4BLMNAHPGD
SCHEMBL15878959 0.88 ALDH1A1 (0.68) CHRNA7ALDH1A1GAACYP1A2CYP3A4
SCHEMBL31198901 0.81 PDE4B (0.54) ALDH1A1GAACYP1A2CYP3A4CYP2D6
SCHEMBL2552810 0.81 ALDH1A1 (0.50) CHRNA7ALDH1A1GAACYP1A2CYP3A4
SCHEMBL23854774 0.81 ALDH1A1 (0.50) CHRNA7ALDH1A1GAACYP1A2CYP3A4
SCHEMBL31233097 0.79 PDE4B (0.60) ALDH1A1GAAPDE4BLMNAHPGD
SCHEMBL29602422 0.79 CHRNA7 (0.70) CHRNA7ALDH1A1MAPTHTTL3MBTL1
SCHEMBL5968846 0.78 NPC1 (0.61) CHRNA7ALDH1A1GAACYP3A4PDE4B
SCHEMBL18557979 0.78 FPR2 (0.55) CHRNA7ALDH1A1MAPTPDE4BHSD11B1
SCHEMBL1673620 0.78 FPR2 (0.55) CHRNA7ALDH1A1MAPTPDE4BHSD11B1

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-2024213877-A1 PROCESS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-10-17 WO disclosed