SCHEMBL8483271

SCHEMBL8483271

BrCCCCCCOc1ccc2c(-c3ccc(Br)cc3)noc2c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.66
ALDH2 P05091 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL8483325 0.93 LSS (0.58) LSSALDH2MAOAMAOBESR1
SCHEMBL4744419 0.89 LSS (0.54) LSSALDH2MAOAMAOBESR1
SCHEMBL8760654 0.83 LSS (0.56) LSSMAOBESR1ESR2
SCHEMBL8760659 0.81 LSS (0.56) LSSMAOAMAOBESR1ESR2
SCHEMBL8760663 0.81 LSS (0.69) LSS
SCHEMBL8760862 0.80 LSS (1.00) LSS
SCHEMBL10728517 0.80 LSS (0.49) LSSALDH2MAOAMAOBESR1
SCHEMBL8482529 0.80 LSS (0.69) LSSESR1ESR2
SCHEMBL8478959 0.79 LSS (0.56) LSSESR1ESR2
SCHEMBL5368893 0.79 LSS (0.46) LSSESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed