SCHEMBL4266523

SCHEMBL4266523

CC(=O)NCCC1CCc2ccc(OCCCCc3ccccc3)cc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.66
MTNR1B P49286 18/20 0.66
NQO2 P16083 13/20 0.66

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
SCHEMBL7943633 0.94 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL4264479 0.92 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL4258172 0.90 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL4264323 0.90 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL7017326 0.84 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL4261832 0.84 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL7950608 0.82 MTNR1A (0.81) MTNR1AMTNR1BNQO2
SCHEMBL27477454 0.82 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL4685396 0.80 MTNR1A (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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