SCHEMBL8845533

SCHEMBL8845533

O=C(NC1CCCCC1)Oc1ccc2c(ccn2CCCc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.49
EPHX1 P07099 1/20 0.49
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8845544 0.81 TP53 (0.42)
SCHEMBL8845543 0.81 PLA2G4A (0.44) ALDH1A1
SCHEMBL8845738 0.79 PPARG (0.42)
SCHEMBL8845762 0.77 BCHE (0.47) FAAHEPHX1BCHEACHEALDH1A1
SCHEMBL8845528 0.75 FAAH (0.48) FAAHEPHX1ACHE
SCHEMBL9738763 0.74 SLC6A2 (0.61) FAAHEPHX1ACHE
Hydrochloric Acid SCHEMBL8544479 0.73 SLC6A2 (0.60) FAAHEPHX1ACHE
SCHEMBL9502777 0.72 SLC6A2 (0.48)
SCHEMBL4961482 0.71 FAAH (0.72) FAAHEPHX1ALDH1A1RAB9A
SCHEMBL4961845 0.71 FAAH (0.72) FAAHEPHX1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688816-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-11-18 US disclosed
US-5455245-A Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
US-5264442-A For treating alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed
EP-0471298-A1 Carbamoyl-1-(pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-02-19 EP disclosed