SCHEMBL19416494

SCHEMBL19416494

CCCN(CCC)C(=O)C1=CC2=CC=C(c3ccc4c(c3)COC4=O)CC2NC(N=NN)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRF1 P14222 9/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ACHE P22303 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
SCHEMBL19416531 0.94 — —
SCHEMBL19416285 0.89 — —
SCHEMBL19416434 0.84 PRF1 (0.31) PRF1KDM4EMAPT
SCHEMBL19416343 0.81 — —
SCHEMBL19416391 0.80 — —
SCHEMBL18771991 0.80 TLR8 (0.33) —
SCHEMBL19416383 0.80 TLR8 (0.37) —
SCHEMBL18772157 0.80 TLR8 (0.32) KDM4E
SCHEMBL18772155 0.79 TLR8 (0.34) —
SCHEMBL19416337 0.79 — —

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
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
Send feedback