SCHEMBL8542014

SCHEMBL8542014

COc1ccc(C2CCCN2CCN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
DRD2 P14416 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HIF1A Q16665 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
TSHR P16473 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL8539445 0.85 THRB (0.53) SMN1; SMN2DRD2KDM4EALDH1A1HRH3
SCHEMBL23507317 0.83 DRD2 (0.57) DRD2ALDH1A1HSD17B10OPRM1OPRK1
SCHEMBL8542700 0.82 ATM (0.44) ALDH1A1HRH3
SCHEMBL8544287 0.81 HRH3 (0.45) KDM4EALDH1A1OPRM1OPRK1HRH3
SCHEMBL28519807 0.81 OPRK1 (0.52) DRD2ALDH1A1HSD17B10OPRM1OPRK1
SCHEMBL18306590 0.81 OPRK1 (0.49) DRD2ALDH1A1HSD17B10OPRM1OPRK1
SCHEMBL22639701 0.81 OPRK1 (0.49) DRD2ALDH1A1HSD17B10OPRM1OPRK1
SCHEMBL8587104 0.80 L3MBTL3 (0.39) ALDH1A1HRH3TSHRSLC6A4
SCHEMBL18862021 0.79 OPRK1 (0.52) DRD2ALDH1A1HSD17B10OPRM1OPRK1
SCHEMBL11512485 0.77 OPRK1 (0.57) DRD2ALDH1A1HSD17B10OPRM1OPRK1

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