SCHEMBL3673793

SCHEMBL3673793

Cc1cncc(-c2cccc3c2C[C@H](N)C(N)O3)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.33
PIM3 Q86V86 12/20 0.33
PIM2 Q9P1W9 12/20 0.33
TGFBR1 P36897 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL3670227 0.82 JAK3 (0.33) DPP4
SCHEMBL840533 0.80 PIM1 (0.35) PIM1PIM3PIM2TGFBR1
Ammonia Solution, Strong SCHEMBL3673791 0.79 PIM1 (0.35) PIM1PIM3PIM2TGFBR1
SCHEMBL3674960 0.76 CYP11B1 (0.33) CYP11B1CYP11B2DPP4
SCHEMBL3672812 0.75 KCNH2 (0.38) DPP4
SCHEMBL3672628 0.73 SCN9A (0.41) CYP11B1CYP11B2
SCHEMBL3673795 0.70 DHFR (0.33) DPP4
SCHEMBL3668903 0.70 SCN9A (0.41) DPP4
SCHEMBL3672940 0.68 DHFR (0.33) DPP4
SCHEMBL841975 0.68 SCN9A (0.34)

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