SCHEMBL4693040

SCHEMBL4693040

CC(=O)Nc1cccc(C(=O)N2CC3CN(CC[C@H](N)c4ccccc4)CC3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
KMT2A Q03164 2/20 0.41
CRBN Q96SW2 1/20 0.41
TSHR P16473 1/20 0.41
CASR P41180 1/20 0.41

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
SCHEMBL4690556 0.89 CCR5 (0.51) CCR5TSHR
SCHEMBL4693284 0.85 CCR5 (0.53) CCR5L3MBTL1
SCHEMBL4694458 0.84 CCR5 (0.53) CCR5
SCHEMBL4691929 0.83 CCR5 (0.48) CCR5TSHR
SCHEMBL4694118 0.82 KCNK3 (0.51) CCR5L3MBTL1KMT2A
SCHEMBL4694257 0.81 CCR5 (0.48) CCR5
SCHEMBL4693578 0.81 CCR5 (0.53) CCR5TSHR
SCHEMBL4693123 0.80 CCR5 (0.50) CCR5
SCHEMBL4696366 0.80 CCR5 (0.46) CCR5
SCHEMBL4694095 0.79 CCR5 (0.51) CCR5

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