SCHEMBL5320769

SCHEMBL5320769

CCN1CCC2(CCc3cc(-c4cccc(C(=O)O)c4)ccc3O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.54
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SSTR5 P35346 1/20 0.42
EPHX2 P34913 1/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5322616 0.88 RXRA (0.51) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL5319956 0.78 HTR2A (0.51) GPR119EPHX2DRD2HTR2AHTR2C
SCHEMBL5322230 0.78 GPR119 (0.49) GPR119SIGMAR1
SCHEMBL14435512 0.78 HTR2A (0.48) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL5319145 0.77 GPR119 (0.42) GPR119DRD2HTR2AHTR2CSIGMAR1
SCHEMBL5320536 0.76 METAP2 (0.39) GPR119DRD2HTR2AHTR2CSIGMAR1
SCHEMBL5320781 0.74 HTR2A (0.45) GPR119DRD2HTR2AHTR2CSIGMAR1
SCHEMBL14435508 0.74 EPHX2 (0.48) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL5320036 0.73 SIGMAR1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5325795 0.72 HTR2A (0.44) GPR119HDAC3HDAC4HDAC1HDAC7

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