SCHEMBL30933809

SCHEMBL30933809

CCOc1ccc(Cl)cc1CNCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
ATM Q13315 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
DRD2 P14416 3/20 0.45
IDO1 P14902 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30933792 0.88 CYP1A2 (0.55) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933756 0.82 CYP1A2 (0.54) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL12281944 0.81 IDO1 (0.49) MAOAMAOBLMNATP53DRD2
SCHEMBL30933685 0.78 CYP1A2 (0.63) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933800 0.77 CYP1A2 (0.60) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL18106068 0.77 IDO1 (0.54) CYP1A2CYP2D6LMNATP53DRD2
SCHEMBL7255214 0.76 IDO1 (0.43) CYP1A2LMNAIDO1ALDH1A1
SCHEMBL7257945 0.76 IDO1 (0.43) CYP1A2LMNAIDO1ALDH1A1
SCHEMBL7259247 0.76 IDO1 (0.45) CYP1A2LMNATP53IDO1ALDH1A1
SCHEMBL21744314 0.76 STK17B (0.47) MAOAMAOBLMNADRD2IDO1

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed