SCHEMBL8539445

SCHEMBL8539445

COc1cccc(C2CCCN2CCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DRD2 P14416 2/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
CHRNA7 P36544 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
PIK3C3 Q8NEB9 2/20 0.46

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
SCHEMBL8542014 0.85 SMN1; SMN2 (0.50) ALDH1A1TSHRSMN1; SMN2DRD2KDM4E
SCHEMBL8871760 0.85 DRD2 (0.50) THRBALDH1A1DRD2KDM4ELMNA
SCHEMBL22170305 0.84 DRD2 (0.63) THRBALDH1A1DRD2KDM4ELMNA
SCHEMBL8539650 0.83 ACHE (0.46) TSHRKDM4ECYP2C9CYP2C19POLB
SCHEMBL8537692 0.83 THRB (0.53) THRBALDH1A1DRD2KDM4ELMNA
SCHEMBL8539303 0.81 DRD3 (0.47) DRD2
SCHEMBL11938594 0.81 DRD2 (0.57) THRBALDH1A1DRD2KDM4ELMNA
SCHEMBL19275752 0.81 THRB (0.56) THRBALDH1A1DRD2KDM4ELMNA
SCHEMBL8539550 0.80 HRH3 (0.62) THRBALDH1A1DRD2KDM4ELMNA
Hydrochloric Acid SCHEMBL10352120 0.79 DRD2 (0.57) THRBALDH1A1NPSR1DRD2KDM4E

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 9 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 claimed
US-5554750-A TO RELIEVE MEMORY DYSFUNCTIONS; TREATMENT OF ALZHEMER*S HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-10 US claimed
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 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