SCHEMBL4692747

SCHEMBL4692747

O=C(N[C@@H](CCN1CC2=CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.44
UTS2R Q9UKP6 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4694396 0.97 CCR5 (0.44) CCR5UTS2RSIGMAR1
SCHEMBL4690226 0.94 CCR5 (0.46) CCR5UTS2RSIGMAR1
SCHEMBL4694157 0.94 CCR5 (0.46) CCR5UTS2RKMT2ALMNAMAPT
SCHEMBL4693984 0.93 CCR5 (0.41) CCR5UTS2RKMT2ALMNASIGMAR1
SCHEMBL4690858 0.92 CCR5 (0.48) CCR5UTS2RSIGMAR1
SCHEMBL4695081 0.92 CCR5 (0.41) CCR5UTS2RSIGMAR1
SCHEMBL4693164 0.92 CCR5 (0.45) CCR5UTS2RKMT2ALMNAMAPT
SCHEMBL4692030 0.92 CCR5 (0.41) CCR5UTS2RKMT2ALMNAMAPT
SCHEMBL4693872 0.92 CCR5 (0.41) CCR5UTS2RKMT2ALMNAMAPT
SCHEMBL4693825 0.92 CCR5 (0.41) CCR5UTS2RKMT2ASMN1; SMN2POLB

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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed