SCHEMBL9666304

SCHEMBL9666304

COc1cc2[nH]cc(CN)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.61
MTNR1A P48039 4/20 0.55
MTNR1B P49286 4/20 0.55
HTR1A P08908 3/20 0.49
MPO P05164 1/20 0.49
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
CYP1A2 P05177 3/20 0.46
NFKB1 P19838 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL7850885 0.86 HTR2A (0.63) HTR2BMTNR1AMTNR1BHTR1AMPO
Hydrochloric Acid SCHEMBL7683721 0.85 NPSR1 (0.64) HTR2BMTNR1AMTNR1BHTR1AMPO
SCHEMBL27559060 0.84 MTNR1A (0.60) HTR2BMTNR1AMTNR1BHTR1AHTR2A
SCHEMBL9265645 0.80 MTNR1A (0.50) HTR2BMTNR1AMTNR1BHTR1AHTR2A
SCHEMBL8110259 0.78 CSNK2A1 (0.59) HTR2BMTNR1AMTNR1BHTR1AHTR2A
SCHEMBL27377337 0.77 MPO (0.56) HTR2BMTNR1AMTNR1BHTR1AMPO
SCHEMBL26602823 0.77 HTR1A (0.79) HTR2BMTNR1AMTNR1BHTR1AMPO
SCHEMBL31377418 0.77 HTR1A (0.79) HTR2BMTNR1AMTNR1BHTR1AMPO
SCHEMBL8576847 0.77 KDM4E (0.65) HTR2BMTNR1AMTNR1BHTR1ACYP1A2
SCHEMBL3976318 0.76 HTR2B (1.00) HTR2BMTNR1AMTNR1BHTR1AHTR2A

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-0240352-B1 5-FLUOROURACIL DERIVATIVES AND PROCESSES FOR PRODUCING THEREOF Chisso Corporation (JP) 1992-12-16 EP disclosed
US-4792607-A ANTICANCER MEDICINE INTERRMEDIATES CHISSO CORPORATION (JP) 1988-12-20 US disclosed
EP-0240352-A2 5-Fluorouracil derivatives and processes for producing thereof Chisso Corporation (JP) 1987-10-07 EP disclosed