SCHEMBL14435117

SCHEMBL14435117

CCN1CCC2(CCc3cc(C(=O)N4CC[C@@H]5CCCC[C@@H]5C4)ccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.45
HRH3 Q9Y5N1 3/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 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
SCHEMBL14435511 0.85 ALDH1A1 (0.49) HRH3CYP2C9EPHX2
SCHEMBL14435508 0.82 EPHX2 (0.48) HRH3CYP2C9EPHX2DRD2HTR2A
SCHEMBL5325795 0.79 HTR2A (0.44) HRH3CYP2C9EPHX2DRD2HTR2A
SCHEMBL14435507 0.79 EPHX2 (0.42) HRH3CYP2C9EPHX2DRD2HTR2A
SCHEMBL5322616 0.78 RXRA (0.51) CYP2C9EPHX2DRD2HTR2AHTR2C
SCHEMBL14435119 0.78 NPC1 (0.48) CNR2HRH3CYP2C9EPHX2DRD2
SCHEMBL14435512 0.77 HTR2A (0.48) HRH3CYP2C9EPHX2DRD2HTR2A
SCHEMBL14435510 0.72 HTR2A (0.42) HRH3CYP2C9EPHX2DRD2HTR2A
SCHEMBL11918450 0.72 HRH3 (0.60) HRH3
SCHEMBL14435114 0.71 HTR2A (0.43) HRH3CYP2C9EPHX2DRD2HTR2A

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