SCHEMBL4260242

SCHEMBL4260242

COc1ccc2c(c1)C(CCNC(C)=O)CC2C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.65
MTNR1B P49286 15/20 0.65
NQO2 P16083 13/20 0.65
HTR2C P28335 1/20 0.53

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
SCHEMBL4264345 0.88 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL4259220 0.86 MTNR1A (0.50) MTNR1AMTNR1BNQO2
SCHEMBL4264832 0.86 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL4258217 0.85 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL16167706 0.80 MTNR1A (0.42) MTNR1AMTNR1BNQO2
SCHEMBL15346396 0.80 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8886211 0.79 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8064976 0.79 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL16167698 0.79 PPARD (0.49) MTNR1A
SCHEMBL4685402 0.79 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C

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
WO-2009053443-A2 INDANE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO claimed
WO-2009053443-A2 INDANE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed