SCHEMBL9361122

SCHEMBL9361122

COc1ccc2c(c1)CCC(C(N)=O)C2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
ACHE P22303 4/20 0.55
DRD2 P14416 5/20 0.54
DRD3 P35462 5/20 0.54
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
CYP26A1 O43174 1/20 0.50
CYP19A1 P11511 1/20 0.47
FAAH O00519 2/20 0.46
HTR2C P28335 1/20 0.44

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
SCHEMBL9361562 1.00 CA1 (0.55) CA1CA2ACHEDRD2DRD3
SCHEMBL8076235 1.00 CA1 (0.55) CA1CA2ACHEDRD2DRD3
SCHEMBL9365144 0.94 DRD2 (0.61) CA1CA2ACHEDRD2DRD3
SCHEMBL9361443 0.94 DRD2 (0.61) CA1CA2ACHEDRD2DRD3
SCHEMBL8603749 0.87 CA1 (0.56) CA1CA2ACHEDRD2DRD3
SCHEMBL8074259 0.87 CA1 (0.56) CA1CA2ACHEDRD2DRD3
SCHEMBL970670 0.87 CA1 (0.56) CA1CA2ACHEDRD2DRD3
SCHEMBL345517 0.87 CA1 (0.56) CA1CA2ACHEDRD2DRD3
SCHEMBL8066286 0.85 CA1 (0.59) CA1CA2ACHEDRD2DRD3
SCHEMBL8603697 0.85 CA1 (0.59) CA1CA2ACHEDRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436435-B1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same SANOFI ELF (FR) 1994-03-23 EP disclosed
US-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 US disclosed
EP-0436435-A1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1991-07-10 EP disclosed