SCHEMBL8539724

SCHEMBL8539724

CNC(=O)Oc1cc(C2CCCN2Cc2ccncc2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRK1 P41145 12/20 0.39
OPRM1 P35372 11/20 0.39
OPRD1 P41143 7/20 0.39
RORC P51449 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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 0.84 OPRK1 (0.48) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8544533 0.77 OPRK1 (0.43) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8543858 0.77 OPRK1 (0.41) OPRK1OPRM1OPRD1
SCHEMBL8542787 0.77 ACHE (0.46) OPRK1OPRM1OPRD1
SCHEMBL8542915 0.75 OPRK1 (0.50) KDM4EALDH1A1OPRK1OPRM1OPRD1
SCHEMBL8542198 0.74 KDM4E (0.57) POLBKDM4EALDH1A1OPRK1OPRM1
SCHEMBL8539704 0.72 ACHE (0.43) POLBKDM4EALDH1A1OPRK1OPRM1
SCHEMBL8538897 0.69 ALDH1A1 (0.66) MAPTKDM4EALDH1A1OPRK1OPRM1
SCHEMBL8543685 0.68 ACHE (0.40) MAPTKDM4EALDH1A1OPRK1OPRM1
SCHEMBL8540362 0.68 LIPE (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