SCHEMBL7838347

SCHEMBL7838347

O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2c1ccncc1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 18/20 0.88

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
Hydrochloric Acid SCHEMBL7234842 0.99 ACHE (0.86) ACHE
Hydrochloric Acid SCHEMBL7227212 0.90 ACHE (0.70) ACHE
SCHEMBL7227474 0.83 ACHE (0.60) ACHE
Hydrochloric Acid SCHEMBL7228789 0.82 ACHE (0.59) ACHE
SCHEMBL7846382 0.81 ACHE (0.84) ACHE
SCHEMBL12043785 0.81 ACHE (0.83) ACHE
Hydrochloric Acid SCHEMBL7850496 0.80 ACHE (0.57) ACHE
SCHEMBL9201945 0.80 ACHE (0.82) ACHE
SCHEMBL9200621 0.80 ACHE (1.00) ACHE
SCHEMBL7846399 0.80 ACHE (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed