SCHEMBL29334346

SCHEMBL29334346

CCCCN(Cc1ccc(OC)cc1)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ BCHE P06276 4/20 0.46
▸ RORC P51449 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL20871141 0.96 PTGES (0.46) PTGESTAS2R14BCHERORC
SCHEMBL20870834 0.95 PTGES (0.45) PTGESTAS2R14
SCHEMBL20870805 0.95 PTGES (0.45) PTGESTAS2R14
SCHEMBL22340458 0.95 PTGES (0.45) PTGESTAS2R14
SCHEMBL29335919 0.95 PTGES (0.45) PTGESTAS2R14
SCHEMBL29336125 0.92 RORC (0.50) PTGESTAS2R14RORCHTT
SCHEMBL22340454 0.86 PTGES (0.50) PTGESTAS2R14HTT
SCHEMBL22340857 0.85 PTGES (0.50) PTGESTAS2R14RORCHTT
SCHEMBL20871210 0.83 HTT (0.49) PTGESTAS2R14RORCHTT
SCHEMBL22340495 0.83 PTGES (0.47) PTGESTAS2R14HTT

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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