SCHEMBL7659089

SCHEMBL7659089

O=C(NCc1ccccc1)Oc1cc2c(cc1C(F)(F)F)CC(CC1CCN(Cc3cccc(F)c3)CC1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.62
BCHE P06276 9/20 0.62
FAAH O00519 1/20 0.53
ABCC4 O15439 1/20 0.53
CACNA1F O60840 1/20 0.53
PDE5A O76074 1/20 0.53
ABCB11 O95342 1/20 0.53
APP P05067 1/20 0.53
CHRM2 P08172 1/20 0.53
ABCB1 P08183 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD4 P21917 1/20 0.53
SLC6A2 P23975 1/20 0.53
MAOB P27338 1/20 0.53
AGTR1 P30556 1/20 0.53
ADRA1A P35348 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
SCHEMBL7655129 0.90 BCHE (0.64) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7654983 0.89 BCHE (0.78) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7651098 0.86 BCHE (0.60) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7658561 0.80 BCHE (0.57) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7652687 0.78 ACHE (0.62) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL7656542 0.77 ACHE (0.57) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL81308 0.77 ACHE (1.00) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4202204 0.77 ACHE (0.98) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL4213274 0.76 ACHE (0.83) ACHEBCHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL4200734 0.75 ACHE (0.81) ACHEBCHEFAAHABCC4CACNA1F

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
US-6413986-B1 ALZHEIMER'S DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 US disclosed
EP-0535496-A1 (1-Indanon-2yl)methylpiperidines, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-04-07 EP disclosed