SCHEMBL21634299

SCHEMBL21634299

CC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
OPRM1 P35372 8/20 0.62
OPRL1 P41146 7/20 0.62
OPRK1 P41145 7/20 0.62
OPRD1 P41143 6/20 0.62
SLC18A3 Q16572 1/20 0.59
SLC6A9 P48067 1/20 0.58
HTR2C P28335 1/20 0.58
DRD3 P35462 1/20 0.58
AVPR1A P37288 1/20 0.58

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
SCHEMBL318707 0.89 HSD17B10 (0.65) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL14543210 0.88 HSD17B10 (0.60) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL1761014 0.86 OPRL1 (0.64) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL13853705 0.86 OPRK1 (0.58) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL21634315 0.85 HSD17B10 (0.60) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL5459394 0.85 OPRM1 (0.57) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL13925107 0.84 OPRK1 (0.59) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL5329597 0.84 OPRM1 (0.62) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL5962828 0.83 HSD17B10 (0.68) HSD17B10OPRM1OPRL1OPRK1OPRD1
SCHEMBL318858 0.83 CCR5 (0.75) HSD17B10OPRM1OPRL1OPRK1OPRD1

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 8 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