SCHEMBL8917363

SCHEMBL8917363

CCC(=O)Oc1c[nH]c2cc(C(N)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.43
HTR1D P28221 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
HTR2C P28335 2/20 0.43
HTR5A P47898 2/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
IMPDH2 P12268 1/20 0.39
ACHE P22303 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
SCHEMBL8915273 0.89 HTR1A (0.45) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8915441 0.89 HTR1D (0.45) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8914633 0.85 SLC22A6 (0.59) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8915869 0.84 HTR1B (0.44) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL27612117 0.83 HSP90AA1 (0.45) KMT2AHTR1AHTR1BHTR1DCYP1A2
SCHEMBL28842060 0.81 SLC22A6 (0.41) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8917348 0.81 PLG (0.43) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8915816 0.81 PLG (0.43) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8916401 0.78 HTR1A (0.37) KMT2AHTR1AHTR1BHSD17B10HTR7
SCHEMBL8916684 0.78 SLC22A6 (0.44) KMT2AHTR1AHTR1BHSD17B10HTR7

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-5703112-A Method of preventing emesis using tetrahydrobenz CD!indole-6-carbonxamides ELI LILLY AND COMPANY (US) 1997-12-30 US disclosed