SCHEMBL7017907

SCHEMBL7017907

NC(=O)c1ccc2c(c1)C1CCCN1CC2.O=C(O)Oc1ccc2c(c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
MTNR1B P49286 1/20 0.38
DRD2 P14416 3/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
CHRNA7 P36544 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DRD3 P35462 3/20 0.36

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
SCHEMBL7015754 0.81 CHRNA7 (0.54) DRD2CHRNA7DRD3
Hydrochloric Acid SCHEMBL7015707 0.80 CHRNA7 (0.52) DRD2CHRNA7DRD3
SCHEMBL3261357 0.74 CA2 (0.50) CA12CA1CA2CA9
SCHEMBL7013326 0.71 CNR1 (0.42) MTNR1BCHRNA7
SCHEMBL875456 0.69 CTNNB1 (0.51) CA12CA1CA2CA9
SCHEMBL22411069 0.69 MTNR1B (0.51) MTNR1BDRD2DRD3
SCHEMBL2176489 0.68 PRKCI (0.69) CA12CA1CA2CA9
SCHEMBL29503137 0.68 PRKCI (0.69) CA12CA1CA2CA9
SCHEMBL9479673 0.67 MAPT (0.52) CA12CA1CA2CA9
SCHEMBL29010952 0.67 CA12 (0.53) CA12CA1CA2CA9

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-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed