SCHEMBL9630429

SCHEMBL9630429

COc1ccc2c(c1)C(COS(C)(=O)=O)CC2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.56
NQO2 P16083 16/20 0.54
MTNR1B P49286 16/20 0.54
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL9629876 0.87 MTNR1A (0.58) MTNR1ANQO2MTNR1B
SCHEMBL6976751 0.82 HTR2C (0.38) MTNR1ANQO2MTNR1B
SCHEMBL7220825 0.82 HTR2C (0.44) MTNR1ANQO2MTNR1BPDE4APDE4B
SCHEMBL6968070 0.80 PPARD (0.41) MTNR1ANQO2MTNR1B
SCHEMBL6978852 0.79 CA2 (0.45) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL14143008 0.79 CA2 (0.45) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL11647146 0.78 MTNR1A (0.62) MTNR1ANQO2MTNR1B
SCHEMBL7214795 0.78 GRIN2B (0.41)
SCHEMBL23343762 0.77 MTNR1A (0.64) MTNR1ANQO2MTNR1B
SCHEMBL9630431 0.77 MTNR1A (0.60) 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
EP-0213080-B1 HYDROGENATED PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-05-20 EP disclosed
EP-0213080-A2 Hydrogenated pyridine derivatives CIBA-GEIGY AG (CH) 1987-03-04 EP disclosed