SCHEMBL7783073

SCHEMBL7783073

O=C(O)CCC1CCN(CC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.52
TBXA2R P21731 2/20 0.52
ACHE P22303 6/20 0.44
BCHE P06276 2/20 0.43
LTA4H P09960 1/20 0.41
HTR1A P08908 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
SLC6A2 P23975 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
RET P07949 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C8 P10632 1/20 0.39

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
Hydrochloric Acid SCHEMBL8180441 0.99 TBXA2R (0.51) HRH1TBXA2RACHEBCHELTA4H
SCHEMBL7609166 0.88 HRH1 (0.48) HRH1TBXA2RACHEBCHECHRM1
Hydrochloric Acid SCHEMBL8182026 0.87 HRH1 (0.47) HRH1ACHEBCHELMNACYP3A4
SCHEMBL8182524 0.85 HRH1 (0.43) HRH1TBXA2RACHEBCHEHTR1A
SCHEMBL7604912 0.84 HRH1 (0.44) HRH1TBXA2RACHECHRM1SIGMAR1
SCHEMBL6967447 0.83 HRH1 (0.48) HRH1TBXA2RLTA4HHTR1ALMNA
SCHEMBL7783140 0.82 CHRM1 (0.49) HRH1TBXA2RACHEBCHECYP3A4
SCHEMBL7603903 0.82 HRH1 (0.47) HRH1ACHECHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6965368 0.81 HRH1 (0.47) HRH1TBXA2RLTA4HHTR1ALMNA
SCHEMBL7605268 0.81 SIGMAR1 (0.48) HRH1TBXA2RACHELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP claimed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO claimed
EP-0991621-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP claimed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP disclosed
US-6114354-A N-substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2000-09-05 US disclosed
US-6100253-A 3-(1-(3-(XANTHEN-9-YLIDENE)-1-PROPYL)PIPERIDIN-4-YL)PROPIONIC ACID, FOR EXAMPLE; TREATING NON-INSULIN DEPENDENT DIABETES, NEUROGENIC INFLAMMATION AND OBESITY; INTERFERE WITH C-FIBERS TO INHIBIT SECRETION OF INSULIN ANTAGONISING PEPTIDES NOVO NORDISK A/S (DK) 2000-08-08 US disclosed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO disclosed
US-6066632-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-23 US disclosed
EP-0991621-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
US-6040318-A TREATING INSULIN RESISTANT NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY, NEUROGENIC INFLAMMATION ASSOCIATED WITH NEUROPATHY OR RHEUMATOID ARTHRITIS NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO disclosed