SCHEMBL6299872

SCHEMBL6299872

O=C(O)CN1CCNCC1C1CCCCC1.[KH]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SLC6A1 P30531 4/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
HTR2C P28335 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 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
SCHEMBL8812832 0.98 SIGMAR1 (0.38) CHRM5CHRM3SIGMAR1ITGB3ITGA2B
SCHEMBL6187054 0.85 CHRM5 (0.37) CHRM5CHRM3SIGMAR1HTR2CTSHR
SCHEMBL8968613 0.84 ITGB3 (0.34) CHRM5CHRM3SIGMAR1ITGB3ITGA2B
SCHEMBL8024517 0.81 SIGMAR1 (0.38) CHRM5CHRM3SIGMAR1SMN1; SMN2
SCHEMBL9559920 0.76 HTR2C (0.34) CHRM5CHRM3SIGMAR1HTR2CHTR6
SCHEMBL27681986 0.76 HTR6 (0.39) HTR2CHTR6
SCHEMBL28752486 0.74 HTR6 (0.38) CHRM5CHRM3SIGMAR1SLC6A1SLC6A11
Hydrochloric Acid SCHEMBL27487446 0.74 LTA4H (0.37) CHRM5CHRM3SIGMAR1ITGB3ITGA2B
SCHEMBL27682097 0.74 HTR6 (0.40) HTR2CHTR6
Hydrochloric Acid SCHEMBL1374273 0.74 NPC1 (0.40) ITGB3ITGA2BLMNASMN1; SMN2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869957-B1 Non-peptide tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-03-22 US disclosed
US-6727255-B1 BRAIN, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2004-04-27 US disclosed
EP-0729468-B1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6403577-B1 Hexamethyleneiminyl tachykinin receptor antagonists ELI LILLY AND COMPANY 2002-06-11 US disclosed
US-6303610-B1 ADMINISTERING TRYPTOPHAN DERIVATIVES AS NEUTROPHIL MEDIATED OXIDANT PRODUCTION FOR THERAPY OF NEUTROPHIL ASSOCIATED DISEASES AND DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0912178-A4 METHODS OF TREATING HYPERTENSION LILLY CO ELI (US) 2000-08-16 EP disclosed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 EP disclosed
US-6017930-A Methods of treating or preventing interstitial cystitis ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
US-6001837-A Methods of treating or preventing sleep apnea ELI LILLY AND COMPANY (US) 1999-12-14 US disclosed
EP-0912178-A1 METHODS OF TREATING HYPERTENSION ELI LILLY AND COMPANY (US) 1999-05-06 EP disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
EP-0729468-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1996-07-12 EP disclosed
US-5530009-A TREATING ASTHMA ELI LILLY AND COMPANY (US) 1996-06-25 US disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
EP-0699674-A1 1-Aryl-2-acetylamidopentanone derivatives for use as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
WO-1996001819-A1 HETEROCYCLIC TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-01-25 WO disclosed
EP-0693489-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed
EP-0686629-A2 Cyclohexyl tachykinine receptor antagonists ELI LILLY AND COMPANY (US) 1995-12-13 EP disclosed
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO disclosed