SCHEMBL7937701

SCHEMBL7937701

O=C(c1ccccc1C(F)(F)F)N1CC2CN(c3ccc(OCc4ccccn4)nn3)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
SCD O00767 8/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL10036776 0.86 P2RX7 (0.44) SCDHTR2AHTR2CHTR2BDCTPP1
SCHEMBL7936703 0.84 SCD (0.54) HCRTR1HCRTR2SCDHTR2BDCTPP1
SCHEMBL2471047 0.76 SCD (0.59) SCDDCTPP1
SCHEMBL2469898 0.74 SCD (0.57) SCDDCTPP1
SCHEMBL517783 0.74 SCD (0.52) SCDHTR2BDCTPP1
SCHEMBL727937 0.74 SCD (0.67) SCDDCTPP1
SCHEMBL7933451 0.73 SCD (0.43) SCDDCTPP1
SCHEMBL10036775 0.72 SCD (0.53) SCDHTR2BDCTPP1
SCHEMBL518648 0.72 SCD (0.57) SCDDCTPP1
Trifluoroacetic Acid SCHEMBL518067 0.71 SCD (0.41) SCDDCTPP1

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-2010028761-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 WO disclosed