SCHEMBL9205778

SCHEMBL9205778

CN1CCCc2cc(C(=O)CCC3CCNCC3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.68

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
SCHEMBL9208753 0.93 ACHE (0.67) ACHE
SCHEMBL9210369 0.91 ACHE (0.68) ACHE
SCHEMBL9208387 0.85 ACHE (0.70) ACHE
SCHEMBL9206656 0.82 ACHE (0.66) ACHE
SCHEMBL9200621 0.81 ACHE (1.00) ACHE
SCHEMBL7237446 0.81 MCHR1 (0.55) ACHE
SCHEMBL27527567 0.80 ACHE (0.84) ACHE
Hydrochloric Acid SCHEMBL9210984 0.80 ACHE (0.98) ACHE
SCHEMBL12043767 0.80 ACHE (0.68) ACHE
Hydrochloric Acid SCHEMBL7227859 0.80 MCHR1 (0.54) 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