SCHEMBL25145993

SCHEMBL25145993

COC(=O)c1ccccc1CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.47
CHRM3 P20309 2/20 0.47
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OPRD1 P41143 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
GNAI3 P08754 1/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL28343653 0.87 KDM4E (0.60) LMNAALDH1A1KDM4ESIRT1MEN1
Hydrochloric Acid SCHEMBL6580775 0.85 KDM4E (0.59) LMNAALDH1A1KDM4ESIRT1MEN1
SCHEMBL10210904 0.85 KDM4E (0.63) LMNAALDH1A1KDM4ESIRT1MEN1
SCHEMBL6585398 0.84 HDAC3 (0.56) LMNAALDH1A1KDM4ESIRT1MEN1
SCHEMBL29194341 0.84 LMNA (0.49) LMNAKDM4ECHRM3MEN1KMT2A
SCHEMBL20424672 0.83 LMNA (0.54) LMNACHRM3SIGMAR1
SCHEMBL5216465 0.83 HCRTR1 (0.60) LMNAALDH1A1SIRT1
SCHEMBL9616882 0.83 KMT2A (0.65) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL27416833 0.82 LMNA (0.55) LMNAALDH1A1KDM4ESIGMAR1
SCHEMBL28129042 0.81 HCRTR1 (0.56) LMNACHRM3OPRD1CYP1A2CHRM2

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed