SCHEMBL5555986

SCHEMBL5555986

CC(C)=Cc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.31

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
SCHEMBL14453977 0.85
SCHEMBL5555400 0.81 CYP1A2 (0.35)
SCHEMBL5562173 0.81 EPAS1 (0.34)
SCHEMBL14454017 0.80 MAPT (0.33)
SCHEMBL5560864 0.79 CYP1A2 (0.31)
SCHEMBL5560810 0.78 EPAS1 (0.36) GCGR
SCHEMBL5563378 0.77
SCHEMBL5563381 0.77
SCHEMBL5555939 0.76 CYP1A2 (0.32)
SCHEMBL14471434 0.73 KCNH2 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed