SCHEMBL8538682

SCHEMBL8538682

COc1cccc(C2CCCN2CCNC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.54
DRD2 P14416 5/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PMP22 Q01453 1/20 0.54
OPRM1 P35372 2/20 0.53
OPRK1 P41145 2/20 0.53
DRD3 P35462 1/20 0.48
CCR3 P51677 1/20 0.48
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP5 P45974 1/20 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
SCHEMBL8540315 0.89 ALDH1A1 (0.43) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL8541780 0.86 ALDH1A1 (0.50) DRD4DRD2MAPTCYP1A2CYP2D6
SCHEMBL8539767 0.82 ALDH1A1 (0.46) DRD3ALDH1A1
SCHEMBL8591324 0.80 ALDH1A1 (0.50) DRD4DRD2MAPTDRD3ALDH1A1
SCHEMBL28940882 0.77 OPRK1 (0.73) MAPTOPRM1OPRK1ALDH1A1
SCHEMBL8989722 0.76 DRD4 (0.55) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL22170305 0.75 DRD2 (0.63) DRD2MAPTALDH1A1
SCHEMBL8537692 0.74 THRB (0.53) DRD2MAPTOPRM1OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL6403181 0.74 DRD4 (0.72) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL11938594 0.73 DRD2 (0.57) DRD2MAPTALDH1A1

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 8 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-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 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