SCHEMBL6607996

SCHEMBL6607996

COC(=O)N1C[C@@H]2CCC(=O)C[C@@H]2C[C@H]1C(=O)ONC(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.36
MMP2 P08253 3/20 0.36
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
ANPEP P15144 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
RECQL P46063 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6607994 0.82 AGTR2 (0.35) AGTR2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8867224 0.81 MMP2 (0.39) MMP2MAPTANPEPCYP3A4
SCHEMBL8866598 0.81 MMP2 (0.39) MMP2MAPTANPEPCYP3A4
SCHEMBL6798706 0.78 TSHR (0.36) MMP2ANPEPMEN1KMT2A
SCHEMBL3307394 0.78 TSHR (0.36) MMP2ANPEPMEN1KMT2A
SCHEMBL3301765 0.78 TSHR (0.36) MMP2ANPEPMEN1KMT2A
SCHEMBL8983770 0.78 TSHR (0.36) MMP2ANPEPMEN1KMT2A
SCHEMBL13390232 0.75 TSHR (0.36) MMP2ANPEP
SCHEMBL25475425 0.75 ALDH1A1 (0.32) MMP2MAPTANPEPKMT2ACYP3A4
SCHEMBL7058824 0.75 ALDH1A1 (0.32) MMP2MAPTANPEPKMT2ACYP3A4

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-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-5399696-A Excitatory amino acid receptor antagonists; nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
US-5356902-A Central nervous system disorders ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5284957-A Substituted 1H- or 2H-tetrazoles ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed