SCHEMBL30933754

SCHEMBL30933754

CCCCOC(=O)N1CCN(CCNCc2cc(Cl)ccc2OCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.50
HRH1 P35367 7/20 0.50
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 2/20 0.50
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL30933800 0.80 CYP1A2 (0.60) CYP2D6CYP1A2ATMLMNATP53
SCHEMBL30933717 0.79 CYP2D6 (0.59) CYP2D6CYP1A2ATMTSHRLMNA
Hydrochloric Acid SCHEMBL30933668 0.78 CYP2D6 (0.61) CYP2D6CYP1A2ATMTSHRLMNA
SCHEMBL30933847 0.77 CYP2D6 (0.57) CYP2D6CYP1A2ATMTSHRLMNA
Hydrochloric Acid SCHEMBL30933672 0.76 CYP2D6 (0.59) CYP2D6CYP1A2ATMTSHRLMNA
SCHEMBL30933714 0.71 L3MBTL1 (0.43) CYP2D6CYP1A2ATMTSHRSMN1; SMN2
SCHEMBL30933726 0.70 CYP1A2 (0.69) CYP2D6CYP1A2ATMSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30933695 0.69 CYP1A2 (0.71) CYP2D6CYP1A2ATMSMN1; SMN2LMNA
SCHEMBL30902413 0.69 VEGFA (0.54) TSHRSMN1; SMN2ALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4377908 0.69 HRH2 (0.71) HRH2HRH1TSHRSMN1; SMN2LMNA

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