Sugi Predict

Sugi Predict / Compounds / SCHEMBL4693210

SCHEMBL4693210

SCHEMBL4693210

N[C@@H](CCN1CC2CN(C(=O)C3CCCC3)CC2C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 16/20 0.56
▸ CCL5 P13501 1/20 0.56
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ HSD11B1 P28845 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
SCHEMBL4691540 0.99 CCR5 (0.56) CCR5CCL5CNR1CNR2KCNK3
SCHEMBL4692082 0.98 CCR5 (0.54) CCR5CCL5CNR1CNR2KCNK3
SCHEMBL4693061 0.95 CCR5 (0.51) CCR5CCL5
SCHEMBL4692852 0.88 CCR5 (0.53) CCR5CCL5
SCHEMBL4691437 0.85 CCR5 (0.54) CCR5CCL5
SCHEMBL4689575 0.84 CCR5 (0.47) CCR5CCL5
SCHEMBL4691066 0.83 CCR5 (0.48) CCR5CCL5
SCHEMBL4689612 0.83 PKM (0.49) CCR5CCL5
SCHEMBL4692319 0.83 CCR5 (0.44) CCR5CCL5
SCHEMBL4692279 0.83 CCR5 (0.44) CCR5CCL5

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