SCHEMBL589083

SCHEMBL589083

O=C(NCCN1CCN(Cc2ccccc2)CC1)n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
MGLL Q99685 2/20 0.54
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 4/20 0.49
BCHE P06276 2/20 0.49

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
SCHEMBL4375626 0.81 HDAC3 (0.56) FAAHACHEBCHE
SCHEMBL24001121 0.81 CNR1 (0.45)
SCHEMBL4369989 0.79 CA12 (0.45) CA1CA2ACHEBCHE
SCHEMBL590652 0.79 RAB9A (0.52) MAPTCA2BCHE
SCHEMBL4374257 0.79 SIGMAR1 (0.62) SIGMAR1
SCHEMBL4368215 0.78 ALOX15 (0.53) SIGMAR1MAPT
SCHEMBL12916046 0.78 SIGMAR1 (0.64) FAAHSIGMAR1MAPTACHEBCHE
SCHEMBL5859633 0.77 NAMPT (0.53)
SCHEMBL23455649 0.76 SMN1; SMN2 (0.54) MAPTBCHE
SCHEMBL17468810 0.75 SIGMAR1 (0.61) FAAHSIGMAR1MAPTACHEBCHE

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed