SCHEMBL4261832

SCHEMBL4261832

CCC(=O)NCCC1CCc2ccc(OCCc3ccccc3)cc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.78
NQO2 P16083 18/20 0.78
MTNR1B P49286 18/20 0.78

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
SCHEMBL4258172 0.94 MTNR1A (0.75) MTNR1ANQO2MTNR1B
SCHEMBL7943633 0.90 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL27477454 0.85 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL4690452 0.85 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4689191 0.85 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4266523 0.84 MTNR1A (0.66) MTNR1ANQO2MTNR1B
SCHEMBL4264479 0.84 MTNR1A (0.59) MTNR1ANQO2MTNR1B
SCHEMBL4264323 0.84 MTNR1A (0.60) MTNR1ANQO2MTNR1B
SCHEMBL4687318 0.82 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135600 0.82 MTNR1A (1.00) MTNR1ANQO2MTNR1B

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