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