SCHEMBL12784949

SCHEMBL12784949

NC(=O)C1CCCN1C(=O)CNC(=O)c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.46
▸ PREP P48147 4/20 0.46
▸ FAP Q12884 2/20 0.46
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ VNN1 O95497 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL30874909 0.77 VNN1 (0.47) DPP4DPP9VNN1
SCHEMBL19692655 0.73 DPP4 (0.51) DPP4PREPFAP
SCHEMBL15129897 0.73 DPP4 (0.51) DPP4PREPFAP
SCHEMBL25718613 0.73 SMN1; SMN2 (0.58) KDM4ERAB9ASMN1; SMN2
SCHEMBL30874886 0.73 VNN1 (0.43) DPP4VNN1SMN1; SMN2
SCHEMBL12674524 0.72 DPP4 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL6887774 0.72 DPP4 (0.55) DPP4PREPFAPDPP8DPP9
SCHEMBL17188719 0.72 DPP4 (0.47) DPP4PREPFAP
SCHEMBL6519298 0.72 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL30493625 0.72 DPP4 (0.60) DPP4PREPFAP

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-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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