SCHEMBL21697645

SCHEMBL21697645

OC(c1cc2ccccc2s1)c1cc(Br)c(OCc2ccccc2)cc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR1A P08908 1/20 0.36
ACHE P22303 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 3/20 0.34
DRD1 P21728 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
PRMT5 O14744 1/20 0.33
HSD17B2 P37059 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16020845 0.85 DRD2 (0.34) SLC6A4ACHERAB9AHSD17B2
SCHEMBL21697612 0.84 SMN1; SMN2 (0.37) HTR2AHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL20741824 0.83 ABCB1 (0.41) SLC6A4SLC6A2SLC6A3ACHERAB9A
SCHEMBL21697537 0.82 MRGPRX4 (0.36) SLC6A4SLC6A2SLC6A3RAB9ASMN1; SMN2
SCHEMBL16018642 0.79 HSD17B2 (0.36) SLC6A4SLC6A2ALOX5APHSD17B2
SCHEMBL21697640 0.79 AGXT (0.40) HTR2AHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL20141585 0.76 HTR2A (0.42) HTR2AHTR2CSLC6A4SLC6A2SLC6A3
SCHEMBL21697652 0.76 THRB (0.38) SLC6A4SLC6A2SLC6A3SMN1; SMN2DRD1
SCHEMBL21697589 0.74 PTGER1 (0.37) RAB9ASMN1; SMN2MRGPRX4
SCHEMBL21697564 0.74 FFAR1 (0.37) HTR2AHTR2CACHERAB9ASMN1; SMN2

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