SCHEMBL19605000

SCHEMBL19605000

CCCOc1ccnc(N2CCN(C)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ACHE P22303 4/20 0.47
ACACB O00763 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTR3A P46098 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL12964388 0.93 HRH4 (0.48) CA12CA1CA2CA9ACHE
SCHEMBL20075911 0.88 CA12 (0.49) CA12CA1CA2CA9ACHE
SCHEMBL24295090 0.85 ACACB (0.42) CA12CA1CA2CA9ACHE
SCHEMBL30423191 0.84 ADRB1 (0.50) ACHEACACBHRH4
SCHEMBL18551071 0.84 CA12 (0.48) CA12CA1CA2CA9ACHE
SCHEMBL28019839 0.81 OGA (0.51) CA12CA1CA2CA9ACHE
SCHEMBL30230144 0.81 OGA (0.51) CA12CA1CA2CA9ACHE
SCHEMBL18551580 0.81 NUDT1 (0.51) CA12CA1CA2CA9ACHE
SCHEMBL23867275 0.81 HRH4 (0.50) CA12CA1CA2CA9ACHE
SCHEMBL1275993 0.79 ACHE (0.60) CA12CA1CA2CA9ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017197055-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2017197051-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed