SCHEMBL21067472

SCHEMBL21067472

N[C@H]1Cn2c(nc3cnccc32)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
CYP2D6 P10635 3/20 1.00
DPP7 Q9UHL4 14/20 0.62
DPP9 Q86TI2 6/20 0.61
KCNH2 Q12809 4/20 0.59
DPP8 Q6V1X1 2/20 0.55

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
SCHEMBL8243254 1.00 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL12284230 1.00 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
Hydrochloric Acid SCHEMBL2417341 0.99 DPP4 (1.00) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL8260623 0.91 DPP4 (0.83) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL12284256 0.89 DPP4 (0.80) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL764573 0.89 DPP4 (0.80) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL13342393 0.85 DPP4 (0.82) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL1891180 0.85 DPP4 (0.73) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL764672 0.84 DPP4 (0.72) DPP4CYP2D6DPP7DPP9KCNH2
SCHEMBL12284523 0.84 DPP4 (0.72) DPP4CYP2D6DPP7DPP9KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed