SCHEMBL8760654

SCHEMBL8760654

NC(CCCCCCOc1ccc2c(-c3ccc(Br)cc3)noc2c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.56
MAOB P27338 2/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
AOC3 Q16853 2/20 0.34

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
SCHEMBL8483271 0.83 LSS (0.66) LSSMAOBESR1ESR2
SCHEMBL8760852 0.81 LSS (0.55) LSS
SCHEMBL8762815 0.79 LSS (0.58) LSS
SCHEMBL8760659 0.78 LSS (0.56) LSSMAOBESR1ESR2
SCHEMBL8760663 0.78 LSS (0.69) LSS
SCHEMBL8483325 0.77 LSS (0.58) LSSMAOBESR1ESR2AOC3
SCHEMBL4744419 0.73 LSS (0.54) LSSMAOBESR1ESR2
SCHEMBL8760862 0.72 LSS (1.00) LSS
SCHEMBL8478959 0.71 LSS (0.56) LSSESR1ESR2
SCHEMBL10728517 0.69 LSS (0.49) LSSMAOBESR1ESR2AOC3

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-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed