SCHEMBL2128188

SCHEMBL2128188

Nc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)Oc2cccc3c2OCCO3)c(-c2cccc(F)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.37
HCRTR2 O43614 17/20 0.35
FAAH O00519 1/20 0.32
DRD2 P14416 1/20 0.32
CNR1 P21554 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL983225 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2128148 0.86 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL3415736 0.86 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2127224 0.85 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2125964 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL984531 0.82 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL984532 0.82 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2125907 0.82 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2127620 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2125388 0.80 HCRTR1 (0.45) HCRTR1HCRTR2

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 claimed