SCHEMBL4696194

SCHEMBL4696194

Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)O)cc1Cl.FC1(F)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.51
KCNH2 Q12809 1/20 0.39

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
Cyclopentane SCHEMBL4696746 0.94 CCR5 (0.48) CCR5KCNH2
Cyclohexane SCHEMBL4695443 0.94 CCR5 (0.48) CCR5KCNH2
SCHEMBL4691909 0.94 CCR5 (0.48) CCR5KCNH2
Cyclopropane SCHEMBL4691469 0.94 CCR5 (0.48) CCR5KCNH2
SCHEMBL4694509 0.91 CCR5 (0.46) CCR5KCNH2
SCHEMBL4691038 0.90 CCR5 (0.52) CCR5KCNH2
SCHEMBL4695417 0.89 CCR5 (0.57) CCR5KCNH2
SCHEMBL4697188 0.88 CCR5 (0.43) CCR5KCNH2
SCHEMBL4692470 0.88 CCR5 (0.40) CCR5KCNH2
SCHEMBL4695107 0.87 CCR5 (0.44) CCR5KCNH2

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