SCHEMBL4597794

SCHEMBL4597794

Cc1ccc(F)c(C2(N3CCNC3=O)CCOCC2C2CCNCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CYP3A4 P08684 2/20 0.31
PLAT P00750 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL4598029 0.79 PIK3C3 (0.33)
SCHEMBL4596047 0.78 SLC6A9 (0.36)
SCHEMBL4596509 0.77 CYP2C19 (0.34) CYP3A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL4597411 0.68
SCHEMBL4625414 0.67 CHRM2 (0.34) PLATHTR2AHTR2CHTR2BHTR1A
SCHEMBL4597792 0.67 CHRM2 (0.34) PLATHTR2AHTR2CHTR2BHTR1A
SCHEMBL10062771 0.59 OPRM1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL10062768 0.59 OPRM1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL2271940 0.58 SIGMAR1 (0.44) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16433641 0.56 ALDH1A1 (0.35) SLC6A2SLC6A3

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed