SCHEMBL8539704

SCHEMBL8539704

CNC(=O)Oc1cccc(C2CCCN2Cc2ccncc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.43
BCHE P06276 3/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRK1 P41145 6/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL8538305 0.80 OPRK1 (0.48) ACHEKDM4EALDH1A1OPRK1OPRM1
SCHEMBL8543858 0.79 OPRK1 (0.41) OPRK1OPRM1OPRD1
SCHEMBL8544533 0.79 OPRK1 (0.43) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8542787 0.78 ACHE (0.46) ACHEBCHEOPRK1OPRM1OPRD1
SCHEMBL8539724 0.72 TACR1 (0.42) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8542915 0.70 OPRK1 (0.50) ACHEBCHEKDM4EALDH1A1OPRK1
SCHEMBL8542198 0.70 KDM4E (0.57) ACHENAMPTKDM4EALDH1A1OPRK1
SCHEMBL24434971 0.70 ALDH1A1 (0.51) NAMPTKDM4EALDH1A1
SCHEMBL8537772 0.68 ALDH1A1 (0.47) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8540467 0.66 KDM4E (0.52) KDM4EALDH1A1OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP disclosed
US-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
US-5554750-A TO RELIEVE MEMORY DYSFUNCTIONS; TREATMENT OF ALZHEMER*S HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-10 US disclosed
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP disclosed
US-5405845-A Administering to relieve memory dysfunction; treatment of Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US disclosed