SCHEMBL7618604

SCHEMBL7618604

CCN(CC)C(=O)c1c(C(c2ccc(O)cc2)c2ccc(OS(C)(=O)=O)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
TSPO P30536 4/20 0.33
OPRD1 P41143 3/20 0.33
CNR2 P34972 2/20 0.33
HIF1A Q16665 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTGER4 P35408 2/20 0.32
UTS2R Q9UKP6 1/20 0.32
CHEK1 O14757 2/20 0.32
WEE1 P30291 2/20 0.32
KMT2A Q03164 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
TOP2A P11388 1/20 0.32
SRC P12931 1/20 0.31

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
SCHEMBL7618598 0.91 HTR6 (0.38) HTR6TSPOOPRD1CNR2HIF1A
SCHEMBL7615055 0.86 KDM4E (0.36) HTR6CNR2PTGER4KMT2APER2
SCHEMBL7615359 0.86 DNM1 (0.36) HTR6HIF1APTGER4KMT2ASRC
SCHEMBL7615408 0.84 CNR2 (0.36) HTR6CNR2PTGER4KMT2A
SCHEMBL8476849 0.83 OPRD1 (0.44) HTR6TSPOOPRD1CNR2PTPN7
SCHEMBL7612504 0.82 PTPN7 (0.39) TSPOOPRD1CNR2PTPN7DUSP3
SCHEMBL8474836 0.82 ENPP1 (0.37) KMT2A
SCHEMBL7614890 0.82 KMT2A (0.37) PTGER4KMT2A
SCHEMBL8474349 0.82 KMT2A (0.37) PTGER4KMT2A
SCHEMBL8473185 0.82 TOP2A (0.38) HTR6TSPOCNR2PTGER4UTS2R

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-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed