SCHEMBL8538897

SCHEMBL8538897

COc1cccc(C2CCCN2Cc2ccncc2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 5/20 0.66
THRB P10828 1/20 0.58
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
OPRM1 P35372 2/20 0.54
OPRK1 P41145 2/20 0.54
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
PRKACA P17612 1/20 0.46
ROCK1 Q13464 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 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
SCHEMBL8543954 0.89 KDM4E (0.64) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL8539612 0.87 KDM4E (0.78) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL8538305 0.83 OPRK1 (0.48) ALDH1A1KDM4ETHRBOPRM1OPRK1
SCHEMBL8540318 0.82 THRB (0.57) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL8540467 0.81 KDM4E (0.52) ALDH1A1KDM4EOPRM1OPRK1NPSR1
SCHEMBL19275752 0.81 THRB (0.56) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL22170305 0.79 DRD2 (0.63) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL8872363 0.79 THRB (0.60) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL8537692 0.78 THRB (0.53) ALDH1A1KDM4ETHRBLMNAL3MBTL1
SCHEMBL19276476 0.77 KDM4E (0.58) ALDH1A1KDM4ETHRBLMNAL3MBTL1

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