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SCHEMBL16280700

SCHEMBL16280700

Cc1nc(Cn2c3nccc-3c(N3CCCC(N)C3)n(Cc3cc(F)ccc3C#N)c2=O)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 1.00
▸ CYP3A4 P08684 1/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ FAP Q12884 3/20 0.50

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
SCHEMBL12687222 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL16280705 0.75 DPP4 (1.00) DPP4
SCHEMBL16280699 0.75 DPP4 (1.00) DPP4CYP3A4KCNH2FAP
SCHEMBL15293640 0.75 DPP4 (1.00) DPP4FAP
SCHEMBL12687228 0.75 DPP4 (1.00) DPP4CYP3A4KCNH2FAP
SCHEMBL16280694 0.74 DPP4 (1.00) DPP4
SCHEMBL2020372 0.70 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL2020371 0.70 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL16280703 0.70 DPP4 (1.00) DPP4KCNH2
SCHEMBL3392432 0.70 DPP4 (1.00) DPP4KCNH2FAP

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-2680851-B1 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2016-08-17 — — EP disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 — — US disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 — — US disclosed