SCHEMBL7015754

SCHEMBL7015754

NC(=O)c1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.54
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 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
Hydrochloric Acid SCHEMBL7015707 0.99 CHRNA7 (0.52) CHRNA7DRD3DRD2
SCHEMBL22411069 0.85 MTNR1B (0.51) DRD3DRD2
SCHEMBL7017907 0.81 HRH3 (0.39) CHRNA7DRD3DRD2
SCHEMBL7007153 0.78 CHRNA7 (0.61) CHRNA7
SCHEMBL8221089 0.78 CHRNA7 (0.45) CHRNA7DRD3
Hydrochloric Acid SCHEMBL7015509 0.77 CHRNA7 (0.59) CHRNA7
Iodide SCHEMBL8219528 0.77 CHRNA7 (0.59) CHRNA7
SCHEMBL22993435 0.75 CHRNA7 (0.61) CHRNA7
SCHEMBL8219167 0.75 CHRNA7 (0.61) CHRNA7
SCHEMBL7555526 0.75 CNR1 (0.51) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed