SCHEMBL903876

SCHEMBL903876

CC(C)[C@@H](N)CN1CCC(F)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 3/20 0.33
KCNH2 Q12809 2/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL14738746 0.84 DPP4 (0.40) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14738064 0.84 DPP4 (0.40) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL23103231 0.79 PIK3CD (0.47) DPP4DPP8DPP9KDM4E
SCHEMBL12041121 0.79 PIK3CD (0.47) DPP4DPP8DPP9KDM4E
SCHEMBL23103243 0.79 PIK3CD (0.47) DPP4DPP8DPP9KDM4E
SCHEMBL19982023 0.79 KDM4E (0.33) KDM4E
SCHEMBL19981827 0.79 KDM4E (0.33) KDM4E
SCHEMBL24616000 0.76 SLC6A3 (0.37) DPP4DPP8DPP9SLC6A3KDM4E
SCHEMBL24616051 0.76 SLC6A3 (0.37) DPP4DPP8DPP9SLC6A3KDM4E
SCHEMBL21613633 0.76 DPP4 (0.33) DPP4DPP8DPP9

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
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed