SCHEMBL22701980

SCHEMBL22701980

C=C1C=CC(=N)N1CCC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL20113822 0.69
SCHEMBL17563458 0.63 MGLL (0.62) ALDH1A1LMNAHTTRAB9A
SCHEMBL18212512 0.60 MGLL (0.75) ALDH1A1LMNAHTTRAB9A
SCHEMBL7932623 0.59
SCHEMBL151770 0.59 MGLL (0.67) ALDH1A1LMNAHTTRAB9A
SCHEMBL9679043 0.58 SMN1; SMN2 (0.38)
SCHEMBL28846929 0.56
SCHEMBL17190596 0.56 MGLL (0.56) ALDH1A1LMNAHTTRAB9A
Dimethylamine SCHEMBL181615 0.55 MGLL (0.59) ALDH1A1LMNAHTTRAB9A
SCHEMBL21298999 0.54 POLB (0.35) ALDH1A1LMNAHTT

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-2020236841-A2 ANTIBODY DRUG CONJUGATES HAVING LINKERS COMPRISING HYDROPHILIC GROUPS NOVARTIS AG (CH) 2020-11-26 WO disclosed