SCHEMBL9045903

SCHEMBL9045903

O=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 1.00
CHRM4 P08173 1/20 0.57

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 SCHEMBL8873123 0.80 ACHE (0.67) ACHECHRM4
SCHEMBL9046543 0.78 CHRM4 (0.70) ACHECHRM4
SCHEMBL10672127 0.78 ACHE (0.62) ACHE
SCHEMBL14601858 0.77 ACHE (0.65) ACHE
Hydrochloric Acid SCHEMBL7851345 0.77 ACHE (0.65) ACHE
SCHEMBL29802721 0.75 PARP1 (0.68) ACHE
SCHEMBL3967246 0.74 CHRM4 (0.65) ACHECHRM4
SCHEMBL15661562 0.73 PARP1 (0.81) ACHE
Hydrochloric Acid SCHEMBL29803237 0.73 PARP1 (0.80) ACHE
SCHEMBL2317295 0.72 CHRM4 (0.57) ACHECHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 EP claimed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 EP disclosed