SCHEMBL4258217

SCHEMBL4258217

CCCC(=O)NCCC1CC(C)c2ccc(OC)cc21

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.67
MTNR1B P49286 9/20 0.67
NQO2 P16083 8/20 0.67

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 0.91 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL4260242 0.85 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL4259220 0.85 MTNR1A (0.50) MTNR1AMTNR1BNQO2
SCHEMBL4264832 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL8886709 0.81 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL8886440 0.81 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL8888092 0.81 MTNR1A (0.83) MTNR1AMTNR1BNQO2
SCHEMBL135119 0.80 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL8887000 0.79 MTNR1A (0.88) MTNR1AMTNR1BNQO2
SCHEMBL8887067 0.79 MTNR1A (0.73) MTNR1AMTNR1BNQO2

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