SCHEMBL7474744

SCHEMBL7474744

COC(=O)CC1CCN(CCC=C2c3ccccc3OCOc3ccccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
DRD3 P35462 3/20 0.37
CHRM3 P20309 2/20 0.37
PPARG P37231 1/20 0.36
TBXA2R P21731 1/20 0.36
HRH1 P35367 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL7472371 0.88 LTA4H (0.47) LTA4HSIGMAR1HPGDNPSR1TBXA2R
Hydrochloric Acid SCHEMBL7464493 0.87 LTA4H (0.46) LTA4HSIGMAR1HPGDNPSR1TBXA2R
SCHEMBL7474386 0.87 LTA4H (0.42) LTA4HNPSR1DRD2HTR2ADRD3
SCHEMBL8204452 0.79 SIGMAR1 (0.41) SIGMAR1DRD2HTR2ADRD3CHRM3
SCHEMBL7603812 0.78 LTA4H (0.46) LTA4HSIGMAR1DRD2HTR2ADRD3
SCHEMBL7468711 0.77 SIGMAR1 (0.46) LTA4HSIGMAR1HRH1
Hydrochloric Acid SCHEMBL8181412 0.77 LTA4H (0.46) LTA4HSIGMAR1DRD2HTR2ADRD3
Oxalic Acid SCHEMBL8171907 0.77 ACHE (0.40) SIGMAR1DRD2HTR2ADRD3PPARG
SCHEMBL7473583 0.76 SIGMAR1 (0.43) SIGMAR1CHRM3PPARGHRH1
SCHEMBL7463247 0.76 ALDH1A1 (0.51) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
US-6017915-A Heterocyclic compounds NOVO NORDISK A/S (DK) 2000-01-25 US disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed