SCHEMBL7706380

SCHEMBL7706380

O=C1N=CN(c2ccc(Cl)cc2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.50
CCR3 P51677 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
OPRL1 P41146 4/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
CXCR3 P49682 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7706497 0.92 OPRL1 (0.54) DRD4SIGMAR1OPRL1OPRM1OPRD1
SCHEMBL16876781 0.89 OPRL1 (0.46) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL16876782 0.89 CHRNA7 (0.47) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL7701290 0.89 LMNA (0.50) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL5556020 0.89 DRD2 (0.47) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL21634309 0.89 CCR5 (0.45) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876820 0.87 OPRL1 (0.42) DRD4CCR3SIGMAR1OPRL1OPRM1
SCHEMBL16876863 0.86 OPRL1 (0.44) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8893354 0.86 SIGMAR1 (0.53) SIGMAR1DRD2HSD17B10ALDH1A1MAPT
SCHEMBL20187044 0.85 OPRL1 (0.43) CCR3SIGMAR1OPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP claimed
EP-3829579-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY Maria Cecilia Hospital S.p.A. (IT) 2021-06-09 EP claimed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO claimed
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP disclosed
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP disclosed
EP-3829579-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY Maria Cecilia Hospital S.p.A. (IT) 2021-06-09 EP disclosed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO disclosed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO disclosed
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
US-6043366-A USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed
EP-0921125-A1 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed