SCHEMBL6998030

SCHEMBL6998030

O=C(NCCCc1c[nH]cn1)[C@@H]1CCc2cnc(NCC(c3ccccc3)c3ccccc3)c(=O)n21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
DUT P33316 1/20 0.33
FKBP1A P62942 5/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
TYRO3 Q06418 2/20 0.31
F10 P00742 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 SCHEMBL7992298 0.99 F2 (0.38) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL6734250 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3ADORA3
SCHEMBL6737271 0.77 F2 (0.49) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7003096 0.73 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6995649 0.73 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6998939 0.73 F2 (0.56) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7978328 0.72 F2 (0.56) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7992439 0.72 F2 (0.45) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7989080 0.72 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6999390 0.72 F2 (0.46) F2PRSS1PRSS2PRSS3F10

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed