SCHEMBL30933700

SCHEMBL30933700

CCOc1ccc(Cl)cc1CNC[C@@H]1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30933789 1.00 CYP1A2 (0.54) CYP1A2CYP2D6ATMPOLBLMNA
Hydrochloric Acid SCHEMBL30933732 0.99 CYP1A2 (0.56) CYP1A2CYP2D6ATMPOLBLMNA
Hydrochloric Acid SCHEMBL30933678 0.99 CYP1A2 (0.56) CYP1A2CYP2D6ATMPOLBLMNA
SCHEMBL30933773 0.93 CYP2D6 (0.56) CYP1A2CYP2D6ATMPOLBLMNA
Hydrochloric Acid SCHEMBL30933803 0.92 CYP1A2 (0.58) CYP1A2CYP2D6ATMPOLBLMNA
SCHEMBL30933712 0.91 MAPT (0.50) CYP1A2CYP2D6ATMPRMT5WDR77
Hydrochloric Acid SCHEMBL30933786 0.90 MAPT (0.49) CYP1A2CYP2D6ATMLMNAPRMT5
Hydrochloric Acid SCHEMBL30933661 0.87 SLC6A4 (0.44) CYP1A2CYP2D6PRMT5WDR77SLC6A2
SCHEMBL30933772 0.84 MAPT (0.52) CYP1A2CYP2D6ATMPRMT5WDR77
Hydrochloric Acid SCHEMBL30933667 0.82 PRMT5 (0.47) CYP1A2CYP2D6ATMLMNATP53

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