SCHEMBL2763577

SCHEMBL2763577

NC(=O)CN1CCC(Oc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.56
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
DRD2 P14416 3/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
CHRM2 P08172 4/20 0.53
CHRM3 P20309 4/20 0.53
FFAR4 Q5NUL3 1/20 0.47
EPHX2 P34913 1/20 0.47
HTR7 P34969 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.46
HTR2A P28223 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
Hydrochloric Acid SCHEMBL4578195 0.86 CARM1 (0.55) OPRK1CARM1PRMT6DRD2DRD4
SCHEMBL30775358 0.85 EPHX2 (0.46) OPRK1EPHX2HRH3
SCHEMBL2763758 0.85 MEN1 (0.49) EPHX2HTR7HRH3HTR2A
SCHEMBL2763241 0.85 SMN1; SMN2 (0.51) EPHX2HRH3LMNAGAASMN1; SMN2
SCHEMBL30775253 0.84 AOC3 (0.50) OPRK1EPHX2
SCHEMBL19838600 0.84 MAOA (0.60) OPRK1CARM1PRMT6DRD2DRD4
SCHEMBL2763728 0.82 MMP13 (0.50) CARM1PRMT6EPHX2HRH3
SCHEMBL4577253 0.80 CARM1 (0.52) OPRK1CARM1PRMT6DRD2DRD4
SCHEMBL14412821 0.80 EPHX2 (0.57) OPRK1CHRM2CHRM3EPHX2
SCHEMBL30775258 0.79 EPHX2 (0.50) OPRK1EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US claimed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US claimed
EP-2179988-A1 Producing (N-heterocyclic) aryl ethers Saltigo GmbH (DE) 2010-04-28 EP claimed
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US disclosed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US disclosed
EP-2179988-A1 Producing (N-heterocyclic) aryl ethers Saltigo GmbH (DE) 2010-04-28 EP disclosed