SCHEMBL7455241

SCHEMBL7455241

c1ccc(CCOC2CCCCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 2/20 0.43
OPRD1 P41143 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 2/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL873249 1.00 TAAR1 (0.46) TAAR1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL7458158 0.98 OPRM1 (0.46) TAAR1OPRM1OPRK1OPRD1HRH3
Ether SCHEMBL2017378 0.90 L3MBTL1 (0.47) TAAR1OPRM1OPRK1OPRD1L3MBTL1
SCHEMBL27807030 0.89 OPRM1 (0.57) TAAR1OPRM1OPRK1OPRD1HRH3
SCHEMBL15186465 0.87 OPRM1 (0.52) TAAR1OPRM1OPRK1OPRD1HRH3
SCHEMBL21535464 0.87 OPRM1 (0.59) OPRM1OPRK1OPRD1HRH3LMNA
SCHEMBL6527498 0.87 MEN1 (0.39) OPRM1HRH3
SCHEMBL10984799 0.84 HRH3 (0.54) HRH3EPHX2SMN1; SMN2
SCHEMBL27517665 0.83 OPRM1 (0.55) OPRM1OPRK1OPRD1HRH3
SCHEMBL10984795 0.83 OPRM1 (0.45) OPRM1OPRK1OPRD1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976708-B1 Cycloalkyl ethers and perfume compositions containing them PFW AROMA CHEM (NL) 2002-03-20 EP disclosed
US-6319889-B1 FRAGRANCES PFW AROMA CHEMICALS B.V. (NL) 2001-11-20 US disclosed
EP-0976708-A1 Cycloalkyl ethers and perfume compositions containing them PFW AROMA CHEMICALS B.V. (NL) 2000-02-02 EP disclosed