SCHEMBL8667995

SCHEMBL8667995

COc1ccc2c(c1)N(C)C(=O)C2(C)CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
MAPT P10636 3/20 0.39
NQO2 P16083 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
MYLK Q15746 1/20 0.34
BACE1 P56817 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34

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
SCHEMBL9118900 0.90 NQO2 (0.46) OPRM1OPRK1OPRL1MAPTNQO2
SCHEMBL12083228 0.90 NQO2 (0.46) OPRM1OPRK1OPRL1MAPTNQO2
SCHEMBL8670268 0.80 OPRM1 (0.50) OPRM1OPRK1OPRL1MAPTNQO2
SCHEMBL8665499 0.77 MAPT (0.45) OPRM1OPRK1OPRL1MAPTKDM4E
SCHEMBL9603210 0.77 MAPT (0.45) OPRM1OPRK1OPRL1MAPTKDM4E
SCHEMBL3050512 0.77 MEN1 (0.51) OPRM1OPRK1OPRL1MAPTNQO2
SCHEMBL9100828 0.77 MEN1 (0.37) OPRM1OPRK1MAPTNQO2KDM4E
SCHEMBL8672902 0.72 MGLL (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12469978 0.72 OPRM1 (0.65) OPRM1OPRK1OPRL1MAPTNQO2
SCHEMBL28502116 0.71 NQO2 (0.51) OPRM1OPRK1OPRL1MAPTNQO2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US claimed
US-5726323-A COMPOUNDS USEFUL FOR ALLEVIATING MEMORY DYSFUNCTIONS HOECHST MARION ROUSSEL, INC. 1998-03-10 US disclosed
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US disclosed
EP-0484573-B1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-13 EP disclosed
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US disclosed
EP-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed
US-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US disclosed