SCHEMBL8765009

SCHEMBL8765009

NCCCCCOc1cccc([O])c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.47
TSHR P16473 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL8764929 0.84 KCNA3 (0.43) PRSS1TSHR
SCHEMBL3026889 0.84 PRSS1 (0.45) PRSS1TSHR
SCHEMBL1665036 0.82 TSHR (0.65) TSHR
SCHEMBL9717879 0.82 TSHR (0.65) TSHR
SCHEMBL2089702 0.82 TSHR (0.65) TSHR
SCHEMBL8766568 0.82 TSHR (0.65) TSHR
SCHEMBL7297045 0.80 TSHR (0.62) TSHR
SCHEMBL4754509 0.80 TSHR (0.72) PRSS1TSHRNOS3NOS1NOS2
SCHEMBL24675828 0.79 PRSS1 (0.47) PRSS1TSHRMTNR1AMTNR1BNOS3
SCHEMBL8765012 0.79 CHRNB2 (0.56) PRSS1TSHRMTNR1AMTNR1BNOS3

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed