SCHEMBL7001280

SCHEMBL7001280

Cc1ccc([C@@H](CN)c2ccccn2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
CHRM2 P08172 5/20 0.43
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
SLC6A3 Q01959 5/20 0.42
KCNH2 Q12809 5/20 0.42
CHRM1 P11229 4/20 0.42
HRH1 P35367 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
ADRA2B P18089 3/20 0.42
HTR2A P28223 3/20 0.42
TSHR P16473 3/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
THPO P40225 2/20 0.42
DRD1 P21728 2/20 0.42
HTR2C P28335 2/20 0.42
CHRM5 P08912 2/20 0.42

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
SCHEMBL6996545 1.00 SLC6A2 (0.43) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL3904458 0.82 SLC6A2 (0.47) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL2066147 0.80 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1422822 0.80 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL27511961 0.80 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL6997071 0.80 SLC6A2 (0.51) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL7000444 0.80 SLC6A2 (0.51) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL7927468 0.79 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL16702791 0.79 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Hydrochloric Acid SCHEMBL7864529 0.79 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
US-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 US 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