SCHEMBL5320536

SCHEMBL5320536

CCN1CCC2(CCc3cc(-c4cccc(-n5cccn5)c4)ccc3O2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
GPR119 Q8TDV5 10/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 4/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 3/20 0.36
HTR2C P28335 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5322230 0.79 GPR119 (0.49) GPR119SIGMAR1
SCHEMBL5319956 0.78 HTR2A (0.51) GPR119KDM4ESIGMAR1HTR2ADRD2
SCHEMBL5319145 0.76 GPR119 (0.42) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL5320769 0.76 GPR119 (0.54) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL20270792 0.71 GPR119 (0.38) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL5320781 0.71 HTR2A (0.45) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL20271239 0.71 GPR119 (0.41) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL5320036 0.70 SIGMAR1 (0.46) SIGMAR1HTR2ADRD2HTR2CKCNH2
SCHEMBL25814892 0.68 SIGMAR1 (0.44) GPR119SIGMAR1HTR2ADRD2HTR2C
SCHEMBL20270560 0.67 GPR119 (0.47) GPR119SIGMAR1HTR2ADRD2HTR2C

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 claimed