SCHEMBL9543016

SCHEMBL9543016

COc1ccc2[nH]cc(C3=CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
DRD2 P14416 5/20 0.44
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
TACR1 P25103 1/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPBWR1 P48145 1/20 0.41
CHRM5 P08912 1/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL9375258 0.87 SIRT2 (0.49) HTR1ADRD2SSTR1SSTR2SSTR4
SCHEMBL7809511 0.73 PDE4B (0.50) HTR1AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL9733015 0.70 HTR2A (0.58) SSTR1SSTR2SSTR4SSTR3SMN1; SMN2
SCHEMBL8335507 0.69 SIRT2 (0.56) HTR1ADRD2MAPTSMN1; SMN2LMNA
SCHEMBL8316997 0.67 SIRT2 (0.53) SSTR1SSTR2SSTR4SSTR3TACR1
SCHEMBL5879137 0.67 HTR1D (0.49) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL9402457 0.67 PIK3CA (0.46) TACR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL9583723 0.66 MEN1 (0.46) SSTR1SSTR2SSTR4SSTR3MEN1
SCHEMBL8335104 0.65 HTR1A (0.50) HTR1ADRD2MAPTSMN1; SMN2LMNA
SCHEMBL5432612 0.65 GPR84 (0.66) HTR1AMAPTMEN1KMT2AHTR7

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
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO claimed