SCHEMBL3727066

SCHEMBL3727066

NC1c2c(cccc2-c2ccnnc2)CC[C@H]1N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.36
UCHL1 P09936 1/20 0.35
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL3737203 0.85 CYP19A1 (0.39) ANPEPIL1RNERAP2ERAP1
SCHEMBL3725607 0.80 JUN (0.39) ANPEP
SCHEMBL3732400 0.76 DRD2 (0.34) ANPEP
SCHEMBL841738 0.76 DRD2 (0.43) ANPEPIL1RNERAP2ERAP1
SCHEMBL3729591 0.76 DRD2 (0.38)
SCHEMBL3732444 0.76 DRD2 (0.38)
Ammonia Solution, Strong SCHEMBL3727065 0.75 DRD2 (0.42) ANPEPIL1RNERAP2ERAP1
SCHEMBL3739561 0.74 DRD2 (0.35)
SCHEMBL3729932 0.69 BRD4 (0.39) UCHL1
SCHEMBL3729955 0.68 AKT2 (0.38) UCHL1

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