SCHEMBL7706497

SCHEMBL7706497

O=C1N=CN(c2ccccc2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.54
OPRM1 P35372 4/20 0.54
OPRD1 P41143 3/20 0.54
OPRK1 P41145 3/20 0.54
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
BACE1 P56817 1/20 0.46
DRD4 P21917 1/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 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
SCHEMBL7706380 0.92 DRD4 (0.50) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876782 0.91 CHRNA7 (0.47) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7701290 0.91 LMNA (0.50) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876781 0.91 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL5556020 0.91 DRD2 (0.47) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL20187195 0.89 OPRM1 (0.57) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7703855 0.88 MCHR1 (0.47) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL21634309 0.88 CCR5 (0.45) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL20187032 0.88 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL8893354 0.88 SIGMAR1 (0.53) HSD17B10SIGMAR1TSHRMEN1ALDH1A1

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 14 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
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN 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-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
US-9278929-B1 Synthesis of intermediate anilino methyl esters used in the production of synthetic opioid analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-03-08 US disclosed
US-9278929-B1 Synthesis of intermediate anilino methyl esters used in the production of synthetic opioid analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2016-03-08 US 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