SCHEMBL6606249

SCHEMBL6606249

C=C1CCC2CN(C(=O)OC)C(C(=O)OCC)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
FKBP1A P62942 2/20 0.33
GAA P10253 1/20 0.32
IDH1 O75874 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
CACNA1A O00555 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB1 Q02641 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7058824 0.87 ALDH1A1 (0.32) ALDH1A1KMT2ALMNAFKBP1ACYP3A4
SCHEMBL25475425 0.87 ALDH1A1 (0.32) ALDH1A1KMT2ALMNAFKBP1ACYP3A4
SCHEMBL3302863 0.87 ALDH1A1 (0.32) ALDH1A1KMT2ALMNAFKBP1ACYP3A4
SCHEMBL6611656 0.83 ALDH1A1 (0.30) ALDH1A1KMT2ALMNACYP3A4MAPT
SCHEMBL6611658 0.83 ALDH1A1 (0.30) ALDH1A1KMT2ALMNACYP3A4MAPT
SCHEMBL8300389 0.81 IDH1 (0.34) IDH1
SCHEMBL8300387 0.81 IDH1 (0.34) IDH1
SCHEMBL8291349 0.79
SCHEMBL8291352 0.78 SMYD3 (0.33)
SCHEMBL3305700 0.78 CYP3A4 (0.44) ALDH1A1KMT2AFKBP1AKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590789-B9 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2004-02-04 EP disclosed
EP-0590789-B1 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2003-03-12 EP disclosed
US-5675008-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5670516-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5648492-A Process for preparing isoquinoline compounds ELI LILLY AND COMPANY (US) 1997-07-15 US disclosed
US-5637712-A CATALYTIC HYDROGENNATION ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5606062-A STEREOSELECTIVE REDUCTION ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
US-5399696-A Excitatory amino acid receptor antagonists; nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
EP-0590789-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1994-04-06 EP disclosed
US-5284957-A Substituted 1H- or 2H-tetrazoles ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed