SCHEMBL8098698

SCHEMBL8098698

CCCCCCCc1ccccc1Cc1ccc(Cc2ccccc2CCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
HTR2A P28223 3/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL8100866 1.00 LIPG (0.56) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL8095272 1.00 LIPG (0.56) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL8086301 0.98 LIPG (0.53) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL8094124 0.94 HTR2A (0.52) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL8101352 0.94 HTR2A (0.52) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL8094855 0.94 HTR2A (0.52) LIPGHTR2AESR1ADRA2AADORA3
SCHEMBL10454636 0.94 HTR2A (0.55) LIPGHTR2ATLR8NR1H2NR1H3
SCHEMBL22471644 0.94 HTR2A (0.55) LIPGHTR2ATLR8NR1H2NR1H3
SCHEMBL27342279 0.94 HTR2A (0.55) LIPGHTR2ATLR8NR1H2NR1H3
SCHEMBL8099750 0.93 LIPG (0.50) LIPGHTR2AESR1ADRA2AADORA3

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed