SCHEMBL7746782

SCHEMBL7746782

NCCCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.69
TP53 P04637 5/20 0.69
MAPK1 P28482 5/20 0.69
CYP1A2 P05177 3/20 0.69
ABCB1 P08183 3/20 0.69
HTR1A P08908 3/20 0.69
ADRA2A P08913 3/20 0.69
ADORA3 P0DMS8 3/20 0.69
CYP2D6 P10635 3/20 0.69
CHRM1 P11229 3/20 0.69
DRD1 P21728 3/20 0.69
SLC6A2 P23975 3/20 0.69
SLC6A4 P31645 3/20 0.69
ADRA1A P35348 3/20 0.69
DRD3 P35462 3/20 0.69
THPO P40225 3/20 0.69
MTOR P42345 3/20 0.69
SLC6A3 Q01959 3/20 0.69
KCNH2 Q12809 3/20 0.69
ABCB11 O95342 3/20 0.69

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
SCHEMBL14724203 0.95 TP53 (0.72) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL10168752 0.87 FPR2 (0.82) FPR2TP53MAPK1CYP1A2ABCB1
Ammonia Solution, Strong SCHEMBL6944606 0.86 TP53 (0.71) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL561173 0.86 LMNA (0.73) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL561009 0.85 FPR2 (0.82) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL24439717 0.85 FPR2 (0.78) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL561399 0.85 LMNA (0.75) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL14809956 0.85 TP53 (0.72) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL7750160 0.84 TP53 (0.91) FPR2TP53MAPK1CYP1A2ABCB1
Dimethylamine SCHEMBL7750171 0.83 TP53 (0.69) FPR2TP53MAPK1CYP1A2ABCB1

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
WO-2001023603-A2 HUMAN FMO3 GENE MUTATIONS AND POLYMORPHISMS, AND USES THEREOF MCGILL UNIVERSITY (CA) 2001-04-05 WO disclosed