SCHEMBL21697633

SCHEMBL21697633

Fc1cc(OCc2ccccc2)c(Br)cc1Cc1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC5A1 P13866 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AGXT P21549 1/20 0.40
CYP2A6 P11509 3/20 0.37
ADRB2 P07550 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
KDM1A O60341 2/20 0.36
ADRA1D P25100 2/20 0.35
PTGER1 P34995 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PSEN1 P49768 1/20 0.35
F9 P00740 1/20 0.34

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
SCHEMBL20741882 0.86 CYP2A6 (0.40) SLC5A2AGXTCYP2A6ADRB2ASIC3
SCHEMBL21697598 0.86 SLC5A2 (0.42) SLC5A2SLC5A1AGXTCYP2A6ADRB2
SCHEMBL20741835 0.85 SLC5A2 (0.44) SLC5A2SLC5A1AGXTCYP2A6ADRB2
SCHEMBL16020946 0.83 SLC5A2 (0.39) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL21697640 0.83 AGXT (0.40) SLC5A2SLC5A1SLC6A3AGXTCYP2A6
SCHEMBL21697625 0.82 AGXT (0.36) SLC5A2AGXTCYP2A6ADRB2ASIC3
SCHEMBL21697565 0.80 FFAR1 (0.36) SMN1; SMN2RAB9APTGER1HTR2AHTR2C
SCHEMBL21697576 0.78 CYP2A6 (0.37) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3
SCHEMBL21697653 0.77 CYP2A6 (0.40) SLC5A2AGXTCYP2A6ADRB2ASIC3
SCHEMBL16018613 0.77 CYP2A6 (0.47) SLC5A2CHRM1SLC5A1ADRA1ASLC6A3

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
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed