SCHEMBL9631764

SCHEMBL9631764

COC(=O)OC1Cc2ccc(OC)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.55
MTNR1B P49286 3/20 0.55
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ACHE P22303 4/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CYP19A1 P11511 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL7909110 0.81 PSEN1 (0.40) MTNR1AMTNR1BCA1CA2
SCHEMBL388601 0.78 MTNR1A (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10225789 0.76 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11896109 0.75 MTNR1A (0.62) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765995 0.75 MTNR1A (0.62) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL629488 0.75 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9629764 0.75 MTNR1B (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL23343811 0.74 DRD2 (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11669272 0.74 DRD2 (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3961628 0.74 DRD2 (0.54) MTNR1AMTNR1BCA1CA2ACHE

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