SCHEMBL14508587

SCHEMBL14508587

CN1CCC2(CC1)CC(=O)Oc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.43
HTR2A P28223 6/20 0.43
HTR2B P41595 4/20 0.43
HTR2C P28335 3/20 0.43
HRH1 P35367 4/20 0.39
DRD2 P14416 2/20 0.37
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 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
SCHEMBL13880282 0.80 PDE7A (0.39) HTR2AHTR2BHTR2CHRH1KMT2A
SCHEMBL14508929 0.75 TNKS (0.49) SIGMAR1HTR2AHTR2BHTR2CDRD2
SCHEMBL8073186 0.74 TNKS (0.45) SIGMAR1HTR2AHTR2BHTR2C
SCHEMBL30089988 0.74 DRD4 (0.46) SIGMAR1DRD2CHRM3
SCHEMBL7675241 0.74 DRD4 (0.46) SIGMAR1DRD2CHRM3
SCHEMBL23508644 0.73 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2BHTR2C
SCHEMBL3287322 0.73 HRH3 (0.54) SIGMAR1HTR2AHTR2BHTR2CCHRM2
SCHEMBL7821093 0.73 KCNH2 (0.41) SIGMAR1HTR2AHTR2BHTR2CDRD2
Hydrochloric Acid SCHEMBL7673355 0.72 DRD4 (0.44) SIGMAR1DRD2CHRM3
SCHEMBL14193181 0.72 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2BHTR2CHRH1

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-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed