SCHEMBL29336469

SCHEMBL29336469

CCN(Cc1ccc(O)cc1)CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 14/20 0.52
▸ OPRK1 P41145 14/20 0.52
▸ OPRD1 P41143 13/20 0.52
▸ RORC P51449 2/20 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
SCHEMBL12126132 0.84 OPRM1 (0.54) OPRM1OPRK1OPRD1RORC
SCHEMBL12126130 0.82 OPRM1 (0.56) OPRM1OPRK1OPRD1RORC
SCHEMBL22340454 0.82 PTGES (0.50) —
SCHEMBL12049804 0.81 NR1D1 (0.48) OPRM1OPRK1OPRD1RORC
SCHEMBL13649148 0.79 OPRM1 (0.55) OPRM1OPRK1OPRD1RORC
SCHEMBL1822450 0.77 HRH3 (0.67) —
SCHEMBL25531037 0.77 HRH3 (0.41) OPRM1OPRK1OPRD1RORC
SCHEMBL13658165 0.76 HRH3 (0.53) OPRM1OPRK1OPRD1RORC
SCHEMBL18602761 0.75 OPRM1 (0.50) OPRM1OPRK1OPRD1RORC
SCHEMBL11649692 0.74 LTA4H (0.50) —

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 — — EP disclosed
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