SCHEMBL9868543

SCHEMBL9868543

O=[C]c1cc(Cl)cc2c1OCCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
HTR3A P46098 1/20 0.32
MAP3K14 Q99558 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL23505785 0.77 NOTUM (0.49) NOTUMHTR3APDE4A
SCHEMBL30451991 0.74 NOTUM (0.38) NOTUMHTR3APDE4A
SCHEMBL7332352 0.74 NOTUM (0.38) NOTUMHTR3APDE4A
SCHEMBL24252953 0.74 NOTUM (0.38) NOTUMHTR3APDE4A
SCHEMBL13534195 0.74 NOTUM (0.38) NOTUMHTR3AMAP3K14PDE4A
SCHEMBL14411960 0.74 NOTUM (0.38) NOTUMHTR3APDE4A
SCHEMBL18768204 0.73 NOTUM (0.38) NOTUMHTR3A
SCHEMBL9868550 0.73 ERN1 (0.40) NOTUMHTR3APDE4A
SCHEMBL97779 0.72 PARP1 (0.41)
SCHEMBL9868892 0.72 HTR3A (0.43) NOTUMHTR3A

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-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed