SCHEMBL172802

SCHEMBL172802

Cc1cccc(C2CC2)c1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.43
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
HTR2C P28335 6/20 0.40
CNR2 P34972 5/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RIPK1 Q13546 1/20 0.36
CNR1 P21554 1/20 0.36
OPRL1 P41146 1/20 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
SCHEMBL16950631 0.83 HTR2C (0.42) HTR2CHTR1ASLC6A2SLC6A4KCNH2
SCHEMBL16951549 0.77 HTR2C (0.46) ALOX5APFEN1HTR2CHTR1ASLC6A2
SCHEMBL16892421 0.75 HTR2C (0.44) HTR2CHTR1ASLC6A2SLC6A4OPRL1
SCHEMBL4441546 0.73 KDM4E (0.54) HTR2CHTR1ASLC6A2SLC6A4RIPK1
SCHEMBL27248573 0.73 CXCR5 (0.60) CXCR5
SCHEMBL6877898 0.72 PDE4B (0.43) CXCR5HTR1ASLC6A2SLC6A4RIPK1
SCHEMBL28230560 0.72 HTR2C (0.58) HTR2CCNR2HTR1ASLC6A2SLC6A4
SCHEMBL16892468 0.71 HTR2C (0.41) HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL28308046 0.71 SLC6A2 (0.54) HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL16961400 0.71 HTR1A (0.42) HTR2CHTR1ASLC6A2SLC6A4

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
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed