SCHEMBL8770815

SCHEMBL8770815

NCCCN.NCCCN.c1ccc(P(CCN(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.36
MAOA P21397 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KIF11 P52732 1/20 0.34
ADRA2C P18825 1/20 0.34
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 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
SCHEMBL23637367 0.90 CARM1 (0.37) LCKHTR2AHRH1CARM1PRMT6
SCHEMBL1068540 0.88 CYP3A4 (0.39)
SCHEMBL474417 0.81 MAOA (0.43) MAOAHTR2AHRH1KIF11
SCHEMBL28858586 0.79 MAOA (0.46) MAOAHTR2AHRH1KIF11
SCHEMBL5033519 0.79 MEN1 (0.45)
SCHEMBL18216549 0.78 CYP3A4 (0.32)
SCHEMBL18213635 0.78 HTR1A (0.42)
SCHEMBL5039661 0.78 HTR1A (0.42)
SCHEMBL348351 0.78 KDM4E (0.39)
SCHEMBL28964148 0.78 MAOA (0.45) MAOAHTR2AHRH1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795134-A1 STABILIZED AQUEOUS STEROID IMMUNOASSAY STANDARDS Abbott Laboratories (US) 1997-09-17 EP disclosed
WO-1996017252-A1 STABILIZED AQUEOUS STEROID IMMUNOASSAY STANDARDS ABBOTT LABORATORIES (US) 1996-06-06 WO disclosed