SCHEMBL23744156

SCHEMBL23744156

C=C[C@H]1CN(c2ncc(C(C)C)cn2)C[C@@H](C)N1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.33

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
SCHEMBL26089355 0.85 PTPN11 (0.41) PTPN11
SCHEMBL24945788 0.79 GPR119 (0.35) PTPN11
SCHEMBL11996276 0.74 ACACB (0.36)
SCHEMBL26087410 0.72 PTPN11 (0.40) PTPN11
SCHEMBL19756416 0.70 ACACB (0.41)
SCHEMBL26850081 0.68 ACACB (0.35)
SCHEMBL23744157 0.68 PTPN11 (0.44) PTPN11
SCHEMBL31492320 0.68 PTPN11 (0.38) PTPN11
SCHEMBL26790071 0.67 ACACB (0.34)
SCHEMBL26818713 0.67 ACACB (0.34)

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-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed