SCHEMBL2127607

SCHEMBL2127607

O=C(NC[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccccc1-c1cccc(Cl)c1)c1cccc2occc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM3 P20309 2/20 0.47
HCRTR1 O43613 12/20 0.43
HCRTR2 O43614 8/20 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
SCHEMBL1571520 0.84 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM3HCRTR1
SCHEMBL984050 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL981707 0.79 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2126030 0.78 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM3HCRTR1
SCHEMBL983914 0.76 HCRTR1 (0.43) CHRM1CHRM2CHRM3HCRTR1HCRTR2
SCHEMBL2126618 0.75 HCRTR1 (0.47) CHRM1CHRM2CHRM4CHRM3HCRTR1
SCHEMBL2126112 0.75 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL986632 0.74 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1339152 0.74 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL11896882 0.73 HCRTR1 (0.45) CHRM1CHRM2CHRM4CHRM3HCRTR1

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-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed