SCHEMBL5051652

SCHEMBL5051652

CC#CCn1c(N2CCCC(N)C2)c(C#N)c2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
KCNH2 Q12809 11/20 1.00
CHRM1 P11229 1/20 0.57
FAP Q12884 1/20 0.57

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
SCHEMBL5051649 1.00 DPP4 (1.00) DPP4KCNH2CHRM1FAP
Hydrochloric Acid SCHEMBL4220122 0.99 DPP4 (0.99) DPP4KCNH2CHRM1FAP
Hydrochloric Acid SCHEMBL4220124 0.99 DPP4 (0.99) DPP4KCNH2CHRM1FAP
SCHEMBL8237500 0.92 DPP4 (0.88) DPP4KCNH2CHRM1FAP
SCHEMBL4230403 0.91 DPP4 (1.00) DPP4KCNH2CHRM1FAP
SCHEMBL4230400 0.91 DPP4 (1.00) DPP4KCNH2CHRM1FAP
SCHEMBL12047552 0.88 DPP4 (0.79) DPP4KCNH2FAP
SCHEMBL4225476 0.88 DPP4 (1.00) DPP4KCNH2CHRM1FAP
SCHEMBL4225482 0.88 DPP4 (1.00) DPP4KCNH2CHRM1FAP
SCHEMBL12047551 0.86 DPP4 (0.76) DPP4KCNH2CHRM1FAP

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-1966215-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed