SCHEMBL7025027

SCHEMBL7025027

CCC(Oc1cccc(C2CC3CCCCN3C2)c1)C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
HTR2C P28335 2/20 0.33
DRD3 P35462 5/20 0.33
PPARA Q07869 1/20 0.32
EED O75530 1/20 0.32
POLB P06746 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL7023939 0.89 PRMT5 (0.33)
SCHEMBL7020149 0.81 PRMT5 (0.35) HTR2C
SCHEMBL4291013 0.76 EED (0.37) EED
SCHEMBL4294146 0.71 HRH3 (0.39)
SCHEMBL11715785 0.69 NR4A1 (0.36) HTR2CEED
SCHEMBL4295492 0.68 OPRM1 (0.32) KDM4E
SCHEMBL4291007 0.68 HRH3 (0.54) KDM4EL3MBTL1
SCHEMBL13660593 0.68 HRH3 (0.54) KDM4EL3MBTL1
SCHEMBL7959782 0.67 SLC6A2 (0.44)
SCHEMBL1060224 0.67 SLC6A2 (0.62) HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed