SCHEMBL8090850

SCHEMBL8090850

CCC(c1ccncc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.57
SLC6A4 P31645 7/20 0.57
CHRM2 P08172 6/20 0.57
SCN1A P35498 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN3A Q9NY46 3/20 0.57
TSHR P16473 3/20 0.51
SLC6A3 Q01959 6/20 0.50
KCNH2 Q12809 5/20 0.50
CHRM1 P11229 5/20 0.50
HRH1 P35367 4/20 0.50
HRH3 Q9Y5N1 4/20 0.50
ADRA2B P18089 3/20 0.50
HTR2A P28223 3/20 0.50
CHRM5 P08912 3/20 0.50
CYP2D6 P10635 2/20 0.50
NFKB1 P19838 2/20 0.50
THPO P40225 2/20 0.50
DRD1 P21728 2/20 0.50
HTR2C P28335 2/20 0.50

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
SCHEMBL290075 0.91 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL17071880 0.91 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Dimethylamine SCHEMBL28881499 0.86 SLC6A2 (0.61) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL3910230 0.85 TSHR (0.62) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL11736090 0.83 CHRM2 (0.71) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL21911307 0.83 SLC6A2 (0.54) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL6890882 0.82 SLC6A2 (0.49) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL123538 0.81 SLC6A3 (0.61) SLC6A2SLC6A4SLC6A3HRH1HTR2A
Dimethylamine SCHEMBL29071782 0.79 CHRM2 (0.66) SLC6A2SLC6A4CHRM2SCN1ASCN2A
Ammonia Solution, Strong SCHEMBL5999712 0.79 SLC6A3 (0.59) SLC6A2SLC6A4SLC6A3HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759420-B1 Process for preparing carboxylic acids by carbonylation of olefins BASF AG (DE) 2000-11-08 EP disclosed
US-5866716-A HALOGEN-FREE CATALYST SYSTEM CONSISTING OF RHODIUM OR A RHODIUM COMPOUND AND AT LEAST ONE NITROGEN-CONTAINING HETEROCYCLIC BASF AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
WO-1997008125-A1 PROCESS FOR PRODUCING CARBOXYLIC ACIDS BY THE CARBONYLISATION OF OLEFINES BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
EP-0759420-A1 Process for preparing carboxylic acids by carbonylation of olefins BASF Aktiengesellschaft (DE) 1997-02-26 EP disclosed