SCHEMBL8538305

SCHEMBL8538305

CNC(=O)Oc1cccc(C2CCCN2Cc2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.48
OPRM1 P35372 9/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.44
OPRD1 P41143 4/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL8542915 0.91 OPRK1 (0.50) OPRK1OPRM1KDM4EALDH1A1OPRD1
SCHEMBL8542198 0.89 KDM4E (0.57) OPRK1OPRM1KDM4EALDH1A1NPSR1
SCHEMBL8542776 0.84 ACHE (0.58) OPRK1OPRM1OPRD1ACHETHRB
SCHEMBL8539724 0.84 TACR1 (0.42) OPRK1OPRM1KDM4EALDH1A1OPRD1
SCHEMBL8543685 0.83 ACHE (0.40) OPRK1OPRM1KDM4EALDH1A1HTT
SCHEMBL8544533 0.83 OPRK1 (0.43) OPRK1OPRM1KDM4EALDH1A1NPSR1
SCHEMBL8543858 0.83 OPRK1 (0.41) OPRK1OPRM1OPRD1
SCHEMBL8538897 0.83 ALDH1A1 (0.66) OPRK1OPRM1KDM4EALDH1A1NPSR1
SCHEMBL8544439 0.82 ACHE (0.42) KDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL8542787 0.82 ACHE (0.46) OPRK1OPRM1NPSR1OPRD1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US claimed
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