SCHEMBL5239947

SCHEMBL5239947

[CH2]c1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1COCc1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.32

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
SCHEMBL5239960 0.88 GRM5 (0.34) GRM5
SCHEMBL5244652 0.87 FLT1 (0.34)
SCHEMBL5210534 0.86 GRM5 (0.35) GRM5
SCHEMBL5645734 0.79 AR (0.39)
SCHEMBL5244481 0.78 CYP1A2 (0.33)
SCHEMBL5639883 0.78 GRM5 (0.30) GRM5
SCHEMBL5243348 0.78 CNR1 (0.33) GRM5
SCHEMBL5244059 0.77 POLB (0.32)
SCHEMBL5244657 0.77 FLT1 (0.37)
SCHEMBL5208166 0.75 FLT1 (0.34)

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-1401826-B1 PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed