SCHEMBL23006607

SCHEMBL23006607

CN1CC(CCC(C)(N[S+]([O-])C(C)(C)C)c2ccccn2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
CHRM3 P20309 1/20 0.30

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
SCHEMBL22983465 0.86 DPP4 (0.33) SSTR4CHRM3
SCHEMBL23006350 0.83 GPR119 (0.35)
SCHEMBL28771328 0.73 DPP4 (0.32)
SCHEMBL23006351 0.66 GPR119 (0.37)
SCHEMBL23006356 0.66 ALDH1A1 (0.36) SSTR4
SCHEMBL17018504 0.65 CHRM2 (0.32)
SCHEMBL22982348 0.64 CHRM3 (0.36) SSTR4CHRM3
SCHEMBL26784939 0.63 KLKB1 (0.35) CHRM3
SCHEMBL22982841 0.63 TP53 (0.32) SSTR4
SCHEMBL22982842 0.63 TP53 (0.32) SSTR4

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-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed