SCHEMBL8095160

SCHEMBL8095160

O=C1NCN(c2ccccc2)C12CCN(CC1CCCCCCC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 1.00
OPRL1 P41146 5/20 1.00
OPRK1 P41145 3/20 1.00
OPRD1 P41143 2/20 1.00
SLC18A3 Q16572 1/20 0.63
SLC6A9 P48067 4/20 0.62
PDE6D O43924 1/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
NR1I2 O75469 1/20 0.61
LMNA P02545 1/20 0.61
HTR1A P08908 1/20 0.61

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
SCHEMBL3895708 0.88 OPRM1 (0.79) OPRM1OPRL1OPRK1OPRD1SLC6A9
SCHEMBL6839338 0.81 SLC18A3 (0.74) OPRM1OPRL1OPRK1OPRD1SLC18A3
SCHEMBL6839077 0.81 SLC18A3 (0.74) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7706463 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7706374 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7703755 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7703785 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7709447 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7709374 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3
Hydrochloric Acid SCHEMBL7706445 0.81 SLC18A3 (0.72) OPRM1OPRL1OPRK1OPRD1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000169476-A 4-OXOIMIDAZOLIDINE-5-SPIRO-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUT CO LTD 2000-06-20 JP disclosed