SCHEMBL4397002

SCHEMBL4397002

N=C(NN)c1ccc2nn[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.35
PRSS1 P07477 5/20 0.35
F2 P00734 5/20 0.35
PLAU P00749 4/20 0.35
TPSAB1 Q15661 3/20 0.35
PLG P00747 3/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
F7 P08709 2/20 0.33
PLAT P00750 2/20 0.31
HPN P05981 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
Hydrochloric Acid SCHEMBL4392460 0.86 CD40 (0.34) PRSS1TPSAB1
SCHEMBL446292 0.75 CHEK2 (0.48)
SCHEMBL29751019 0.75 CHEK2 (0.48)
SCHEMBL29510973 0.73 TDP1 (0.51)
SCHEMBL264413 0.73 TDP1 (0.51)
SCHEMBL4402424 0.72 CD40 (0.35)
SCHEMBL4397003 0.72 TPSAB1 (0.35) F10PRSS1F2PLAUTPSAB1
SCHEMBL263919 0.71 SLC2A1 (0.44)
SCHEMBL13446572 0.71 CCNC (0.49) PLAU
SCHEMBL9871375 0.71 KDM4E (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed