SCHEMBL13076110

SCHEMBL13076110

CN[C@@H]1CCC[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.57
KDM1A O60341 5/20 0.50
MAOB P27338 2/20 0.50
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SSTR4 P31391 1/20 0.44
HTR2C P28335 1/20 0.43
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13075268 1.00 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL22754979 1.00 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL13452615 1.00 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL19493576 1.00 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL26721601 0.96 GRIA4 (0.53) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL20833256 0.96 GRIA4 (0.53) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL7046563 0.96 GRIA4 (0.53) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL22260111 0.88 KDM1A (0.53) GRIA4KDM1AMAOBADRA2AHTR2C
SCHEMBL736813 0.82 GRIA4 (0.58) GRIA4HTR2C
SCHEMBL16748038 0.81 KDM1A (0.42) GRIA4KDM1A

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
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed