SCHEMBL4264479

SCHEMBL4264479

O=C(O)NCCC1CCc2ccc(OCCCCc3ccccc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.59
MTNR1B P49286 19/20 0.59
NQO2 P16083 18/20 0.59
PPARD Q03181 1/20 0.46

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
SCHEMBL4266523 0.92 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL4258172 0.90 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL4264323 0.89 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL7943633 0.86 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL4261832 0.84 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL27477454 0.83 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL7950270 0.76 MAOB (0.46) MTNR1AMTNR1BNQO2PPARD
SCHEMBL8887869 0.76 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL8886488 0.76 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL7017326 0.75 MTNR1A (0.75) 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