SCHEMBL5245571

SCHEMBL5245571

O=C=C(c1ccc(OCc2ccccc2)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.54
▸ SLC6A3 Q01959 3/20 0.54
▸ HTR1A P08908 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ OPRM1 P35372 6/20 0.53
▸ OPRL1 P41146 5/20 0.53
▸ OPRD1 P41143 4/20 0.53
▸ ADRB1 P08588 2/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ ADRA1B P35368 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ CHRM5 P08912 1/20 0.51

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
SCHEMBL5248338 0.84 HSD17B10 (0.52) OPRK1SLC6A3HTR1AHTR2COPRM1
SCHEMBL5245812 0.81 PLD1 (0.60) OPRK1SLC6A3HTR1AADORA3HTR2C
SCHEMBL5244755 0.81 PLD2 (0.62) OPRK1SLC6A3HTR1AHTR2COPRM1
SCHEMBL5243790 0.78 CCR5 (0.57) OPRK1SLC6A3HTR1AADORA3HTR2C
SCHEMBL318707 0.72 HSD17B10 (0.65) OPRK1HTR2COPRM1OPRL1OPRD1
SCHEMBL13913516 0.72 OPRM1 (0.67) OPRK1SLC6A3HTR1AOPRM1OPRL1
SCHEMBL21634315 0.71 HSD17B10 (0.60) OPRK1HTR2COPRM1OPRL1OPRD1
SCHEMBL5925355 0.71 OPRL1 (0.69) OPRK1SLC6A3HTR1AOPRM1OPRL1
SCHEMBL318264 0.71 OPRK1 (0.72) OPRK1SLC6A3HTR1AADORA3HTR2C
SCHEMBL21634299 0.70 HSD17B10 (0.62) OPRK1HTR2COPRM1OPRL1OPRD1

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
EP-1537110-B1 TRIAZOSPIRO COMPOUNDS HAVING NOCICEPTIN RECEPTOR AFFINITY EURO CELTIQUE SA (LU) 2007-01-17 — — EP claimed
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