SCHEMBL9017300

SCHEMBL9017300

CC(=O)OOc1cccc2c1CCC(N)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.63
DRD3 P35462 6/20 0.63
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
HTR6 P50406 1/20 0.41
PLAU P00749 1/20 0.41
DRD4 P21917 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL9017303 0.86 DRD2 (0.67) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL8414285 0.82 MTNR1A (0.46) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL8414321 0.81 MTNR1A (0.45) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL8812817 0.80 PTGIR (0.46) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL29429678 0.78 DRD2 (1.00) DRD2DRD3MTNR1AMTNR1BPLAU
SCHEMBL43366 0.78 DRD2 (1.00) DRD2DRD3MTNR1AMTNR1BPLAU
SCHEMBL895845 0.78 DRD2 (1.00) DRD2DRD3MTNR1AMTNR1BPLAU
SCHEMBL895742 0.78 DRD2 (1.00) DRD2DRD3MTNR1AMTNR1BPLAU
SCHEMBL29547385 0.78 DRD2 (1.00) DRD2DRD3MTNR1AMTNR1BPLAU
SCHEMBL8811674 0.77 PTGIR (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed