SCHEMBL14435759

SCHEMBL14435759

NCN1CCC2(CCc3cc(-c4ccc(F)cc4)ccc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.48
DRD2 P14416 9/20 0.48
HTR2C P28335 7/20 0.48
KCNH2 Q12809 2/20 0.48
EPHX2 P34913 2/20 0.45
GPR119 Q8TDV5 5/20 0.42
SIGMAR1 Q99720 1/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL5319956 0.88 HTR2A (0.51) HTR2ADRD2HTR2CKCNH2EPHX2
SCHEMBL5319145 0.71 GPR119 (0.42) HTR2ADRD2HTR2CKCNH2GPR119
SCHEMBL20270072 0.70 GPR119 (0.48) HTR2ADRD2HTR2CKCNH2GPR119
SCHEMBL24496751 0.70 EPHX2 (0.55) HTR2ADRD2HTR2CKCNH2EPHX2
Hydrochloric Acid SCHEMBL29586776 0.69 EPHX2 (0.54) HTR2ADRD2HTR2CKCNH2EPHX2
SCHEMBL29587475 0.69 HTR2A (0.56) HTR2ADRD2HTR2CKCNH2EPHX2
SCHEMBL20612461 0.69 DRD2 (0.53) HTR2ADRD2HTR2CKCNH2EPHX2
SCHEMBL5320781 0.68 HTR2A (0.45) HTR2ADRD2HTR2CKCNH2GPR119
SCHEMBL5322230 0.68 GPR119 (0.49) GPR119SIGMAR1
SCHEMBL5320769 0.67 GPR119 (0.54) HTR2ADRD2HTR2CEPHX2GPR119

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-2007088462-A1 SPIROCHROMANE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed