SCHEMBL7806519

SCHEMBL7806519

O=C(CCC1CCN(Cc2ccccc2)CC1)Cc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.63
ACHE P22303 7/20 0.62
BCHE P06276 2/20 0.62
FAAH O00519 1/20 0.53

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
SCHEMBL12043785 0.84 ACHE (0.83) SIGMAR1ACHEBCHE
SCHEMBL7801292 0.81 ACHE (0.59) SIGMAR1ACHEBCHE
SCHEMBL1138416 0.80 ACHE (0.76) ACHEBCHE
SCHEMBL7806521 0.80 ACHE (0.71) ACHEBCHEFAAH
Hydrochloric Acid SCHEMBL3156661 0.79 ACHE (0.77) ACHEBCHE
SCHEMBL7853462 0.79 ACHE (0.74) ACHEBCHE
SCHEMBL7501904 0.79 DRD2 (0.63) SIGMAR1ACHEBCHE
SCHEMBL26096555 0.78 ACHE (0.72) ACHEBCHE
SCHEMBL15171507 0.77 ACHE (0.63) ACHEBCHE
SCHEMBL17030671 0.76 MEN1 (0.56) SIGMAR1ACHE

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-0673927-B1 piperidines as anticholinergic agents EISAI CO LTD (JP) 2001-09-19 EP claimed
EP-0673927-B1 piperidines as anticholinergic agents EISAI CO LTD (JP) 2001-09-19 EP disclosed