SCHEMBL4693984

SCHEMBL4693984

O=C(N[C@@H](CCN1CC2=CN(C(=O)c3c(F)cccc3Cl)CC2C1)c1ccccc1)c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.41
DGAT2 Q96PD7 1/20 0.37
UTS2R Q9UKP6 2/20 0.35
HPGD P15428 1/20 0.35
KCNK3 O14649 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL4693400 0.95 CCR5 (0.41) CCR5DGAT2UTS2RKCNK3LMNA
SCHEMBL4692747 0.93 CCR5 (0.44) CCR5UTS2RLMNAKMT2ASIGMAR1
SCHEMBL4694396 0.91 CCR5 (0.44) CCR5UTS2RSIGMAR1
SCHEMBL4691249 0.91 CCR5 (0.44) CCR5DGAT2UTS2RKMT2A
SCHEMBL4690226 0.90 CCR5 (0.46) CCR5UTS2RSIGMAR1
SCHEMBL4694765 0.90 CCR5 (0.44) CCR5DGAT2UTS2R
SCHEMBL4690242 0.90 CCR5 (0.43) CCR5DGAT2UTS2RSIGMAR1
SCHEMBL4690858 0.89 CCR5 (0.48) CCR5DGAT2UTS2RSIGMAR1
SCHEMBL4694157 0.88 CCR5 (0.46) CCR5UTS2RLMNAKMT2A
SCHEMBL4693825 0.88 CCR5 (0.41) CCR5UTS2RHPGDKMT2A

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