SCHEMBL5325795

SCHEMBL5325795

CCC1CN1C(=O)c1ccc2c(c1)CCC1(CCN(CC)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
DRD2 P14416 3/20 0.44
HTR2C P28335 2/20 0.44
EPHX2 P34913 3/20 0.41
CYP2C9 P11712 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SSTR5 P35346 1/20 0.38
EPHX1 P07099 1/20 0.38
HRH3 Q9Y5N1 7/20 0.38

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 0.82 RXRA (0.51) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435508 0.82 EPHX2 (0.48) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435507 0.81 EPHX2 (0.42) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435512 0.81 HTR2A (0.48) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435117 0.79 CNR2 (0.45) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435511 0.78 ALDH1A1 (0.49) EPHX2CYP2C9EPHX1HRH3
SCHEMBL14435510 0.76 HTR2A (0.42) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435119 0.76 NPC1 (0.48) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435114 0.74 HTR2A (0.43) HTR2ADRD2HTR2CEPHX2CYP2C9
SCHEMBL14435509 0.73 TAS1R3 (0.42) HTR2ADRD2HTR2CEPHX2CYP2C9

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