SCHEMBL7801189

SCHEMBL7801189

O=C(O)CN(C(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.55
SIGMAR1 Q99720 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CCR5 P51681 4/20 0.45
AGER Q15109 3/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL22285161 0.99 ENPP2 (0.57) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL190556 0.99 ENPP2 (0.57) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL6166891 0.94 ENPP2 (0.48) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL28523905 0.88 ENPP2 (0.51) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL6193454 0.88 ENPP2 (0.52) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL27757526 0.86 ENPP2 (0.52) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL29068551 0.86 ENPP2 (0.52) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL1162705 0.85 ENPP2 (0.42) ENPP2SIGMAR1PTGDR2CCR5CHRM2
SCHEMBL9237582 0.85 ENPP2 (0.50) ENPP2SIGMAR1PTGDR2L3MBTL1CCR5
SCHEMBL13684267 0.84 L3MBTL1 (0.63) ENPP2SIGMAR1L3MBTL1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078886-C Inhibitors of beta-amyloid production MURRILL MEDICINES CO (US) 2002-02-06 CN disclosed
EP-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
EP-0477049-B1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 US disclosed
CN-1132504-A Inhibitors of beta-amyloid production MURRILL MEDICINES CO (US) 1996-10-02 CN disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 US disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed
EP-0477049-A1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-25 EP disclosed