SCHEMBL3673478

SCHEMBL3673478

COc1cc(-c2cccc3c2C[C@H](N)C(N)O3)c(OC)nn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.33
▸ GPBAR1 Q8TDU6 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
SCHEMBL841511 0.81 SCN9A (0.35) —
Ammonia Solution, Strong SCHEMBL3673475 0.81 SCN9A (0.35) —
SCHEMBL3668938 0.80 NPC1 (0.37) DPP4
SCHEMBL3674446 0.77 IDO1 (0.38) —
SCHEMBL3667284 0.76 KCNH2 (0.46) DPP4
SCHEMBL3668903 0.75 SCN9A (0.41) DPP4
SCHEMBL3674960 0.71 CYP11B1 (0.33) DPP4GPBAR1
SCHEMBL3672812 0.70 KCNH2 (0.38) DPP4
SCHEMBL841172 0.70 — —
SCHEMBL3672628 0.68 SCN9A (0.41) —

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-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 — — EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 — — WO disclosed
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