SCHEMBL4407410

SCHEMBL4407410

COc1ccc2c(c1)C(CCC1(C(N)=O)CC1)CC2C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.38
NQO2 P16083 13/20 0.38
MTNR1B P49286 13/20 0.38

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
SCHEMBL13891904 0.77 HTR2A (0.40) MTNR1ANQO2MTNR1B
SCHEMBL4260242 0.76 MTNR1A (0.65) MTNR1ANQO2MTNR1B
SCHEMBL16167698 0.75 PPARD (0.49) MTNR1A
SCHEMBL4264345 0.74 MTNR1A (0.66) MTNR1ANQO2MTNR1B
SCHEMBL16167706 0.74 MTNR1A (0.42) MTNR1ANQO2MTNR1B
SCHEMBL4259220 0.73 MTNR1A (0.50) MTNR1ANQO2MTNR1B
SCHEMBL4264832 0.73 MTNR1A (0.54) MTNR1ANQO2MTNR1B
SCHEMBL4258217 0.72 MTNR1A (0.67) MTNR1ANQO2MTNR1B
SCHEMBL26939190 0.69 HTR2C (0.49) MTNR1AMTNR1B
SCHEMBL28009767 0.67 ALDH1A1 (0.49)

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 claimed