SCHEMBL9206779

SCHEMBL9206779

CC(=O)N1CCC(CCC(=O)c2ccc3c(c2)N(C(C)=O)CCC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.57
NOTUM Q6P988 1/20 0.45

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
SCHEMBL9206324 0.97 ACHE (0.58) ACHE
SCHEMBL9208181 0.91 ACHE (0.57) ACHE
SCHEMBL9206611 0.90 ACHE (0.70) ACHE
SCHEMBL9212033 0.88 ACHE (0.54) ACHE
SCHEMBL9208669 0.84 ALDH1A1 (0.59) ACHENOTUM
SCHEMBL9205255 0.84 ACHE (0.49) ACHE
SCHEMBL9208387 0.83 ACHE (0.70) ACHE
SCHEMBL9208277 0.83 ACHE (0.76) ACHE
SCHEMBL9200369 0.82 ACHE (0.81) ACHE
SCHEMBL7234380 0.80 ACHE (0.50) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed