SCHEMBL8201735

SCHEMBL8201735

Cl[Si](Cl)(Cl)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.50
HTR2A P28223 6/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
EPHX2 P34913 3/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL10599884 0.82 TSHR (0.42) HRH1HTR2AMTNR1AMTNR1BTAAR1
SCHEMBL5485540 0.80 RIPK1 (0.52) TAAR1
SCHEMBL8204422 0.80 CYP19A1 (0.45) EPHX2CNR1CNR2SLC6A3LMNA
SCHEMBL3290730 0.76 HRH1 (0.68) HRH1HTR2AMTNR1AMTNR1BTAAR1
SCHEMBL1532968 0.76 SLC6A4 (0.38) HRH1HTR2ACHRM1SLC6A2SLC6A4
SCHEMBL8204424 0.75 HTR2A (0.46) HRH1HTR2ATAAR1CHRM2CHRM1
SCHEMBL2732016 0.73 HRH1 (0.65) HRH1HTR2AMTNR1AMTNR1BTAAR1
SCHEMBL844862 0.73 HRH1 (0.65) HRH1HTR2AMTNR1AMTNR1BTAAR1
SCHEMBL27321444 0.73 HRH1 (0.65) HRH1HTR2AMTNR1AMTNR1BTAAR1
SCHEMBL8204418 0.73 IDO1 (0.40) CNR1CNR2OPRM1CYP3A4CYP19A1

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
US-6022987-A Aryl substituted alkylsilanes and a preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2000-02-08 US claimed
US-6022987-A Aryl substituted alkylsilanes and a preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2000-02-08 US disclosed