SCHEMBL7413558

SCHEMBL7413558

COc1cc(C(=O)OC2CCc3c(c4cc(Cc5ccccc5)ccc4n3CCc3ccccc3)C2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.42
HTR6 P50406 5/20 0.42
EGFR P00533 3/20 0.40
IGF1R P08069 3/20 0.40
FLT4 P35916 3/20 0.40
KDR P35968 3/20 0.40
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SLC29A1 Q99808 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
CHRNA7 P36544 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL7413566 0.84 ABCB1 (0.37) ABCB1ALDH1A1SLC29A1KMT2AMEN1
SCHEMBL7408712 0.84 HTR6 (0.42) HRH1HTR6EGFRIGF1RFLT4
SCHEMBL11334674 0.78 KMT2A (0.44) ABCB1ALDH1A1DRD2HTR7KMT2A
SCHEMBL7412976 0.75 DRD2 (0.51) HRH1HTR6EGFRIGF1RFLT4
SCHEMBL7408670 0.73 HTR6 (0.48) HRH1HTR6EGFRIGF1RFLT4
SCHEMBL7408065 0.71 HDAC6 (0.47) ALDH1A1ADRA2AADRA1AGAA
SCHEMBL7411930 0.70 PTGDR2 (0.47) HTR6SLC29A1HTR2AKMT2AMEN1
SCHEMBL7413011 0.69 PTGDR2 (0.46) HRH1HTR6ALDH1A1ADRA2ADRD2
Hydrochloric Acid SCHEMBL7452433 0.69 PTGDR2 (0.45) HRH1HTR6ALDH1A1ADRA2ADRD2
SCHEMBL7409172 0.69 HDAC1 (0.42) HTR6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed