SCHEMBL3652699

SCHEMBL3652699

COc1ccc2c(c1)C(CCNC(=O)O)CO2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.54
MTNR1B P49286 15/20 0.50
NQO2 P16083 13/20 0.50

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
SCHEMBL132847 0.90 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL136496 0.88 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL138000 0.87 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL135119 0.86 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL9628106 0.82 PPARD (0.56)
SCHEMBL134401 0.80 HTR1A (0.43) MTNR1A
SCHEMBL5223857 0.79 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL9629898 0.78 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL172889 0.78 HTR1A (0.57) MTNR1A
Methylamine SCHEMBL10700891 0.77 HTR1A (0.50) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205579-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2010-07-14 EP claimed
WO-2009053444-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 WO claimed
EP-2205579-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2010-07-14 EP disclosed
WO-2009053444-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 WO disclosed