SCHEMBL17156972

SCHEMBL17156972

O=C(C1CC1)N1CCc2nc(OC3CCN(C4CC4)CC3)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.49
GPR6 P46095 2/20 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
SCHEMBL17156963 0.96 GRM5 (0.48) GRM5GPR6
SCHEMBL17156951 0.96 GRM5 (0.51) GRM5
SCHEMBL17156958 0.93 GRM5 (0.51) GRM5
Cadaverine Tartrate SCHEMBL175034 0.93 GRM5 (0.46) GRM5GPR6
SCHEMBL17156955 0.92 GRM5 (0.50) GRM5
Cadaverine Tartrate SCHEMBL15738691 0.89 GRM5 (0.46) GRM5GPR6
Cadaverine Tartrate SCHEMBL167208 0.89 GRM5 (0.48) GRM5
SCHEMBL15738677 0.89 GRM5 (0.52) GRM5
Cadaverine Tartrate SCHEMBL15737941 0.87 GRM5 (0.48) GRM5
Cadaverine Tartrate SCHEMBL165873 0.86 GRM5 (0.47) GRM5

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-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP claimed