SCHEMBL10469737

SCHEMBL10469737

COc1ccc2c(c1)C(OC)CCC2(C#N)O[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
CYP19A1 P11511 4/20 0.32
HTR2B P41595 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR5A P47898 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP11B1 P15538 1/20 0.32
BCHE P06276 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL9364462 0.77 ADRA2A (0.43) OPRM1HTR2BSIGMAR1ADRB2HTR1A
SCHEMBL7570951 0.75 KDM1A (0.50) SIGMAR1ADRA2ASLC6A2SLC6A3OTUD7B
SCHEMBL8635505 0.75 ALDH1A1 (0.41) ADRA2AHTR5AOTUD7BKDM4EALDH1A1
SCHEMBL1570433 0.74 APP (0.35) HTR5AOTUD7BKDM4EMEN1ALDH1A1
SCHEMBL6568601 0.73 KDM1A (0.41) SIGMAR1KDM4EALDH1A1KMT2APOLA1
SCHEMBL1571868 0.69 PTGDR2 (0.42) PTGDR2
SCHEMBL10469011 0.67 POLA1 (0.40) ALDH1A1KMT2APOLA1PTGDR2
SCHEMBL19278346 0.66 GAA (0.38) KDM4EMEN1NPC1ALDH1A1GAA
SCHEMBL20762065 0.65 EGFR (0.33) ADRA2AADRA2BKDM4EALDH1A1GAA
SCHEMBL16836035 0.65 ADRA2A (0.40) ADRA2AHTR5AOTUD7BKDM4EALDH1A1

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
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed