SCHEMBL8001659

SCHEMBL8001659

NC(CCc1c[nH]c2ccc(F)cc12)OC(=O)/C=C/C(=O)OC(N)CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 12/20 0.62
SLC6A4 P31645 3/20 0.62
NOTUM Q6P988 2/20 0.54
HTR2A P28223 3/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
HTR1A P08908 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HTR2C P28335 1/20 0.50
SPR P35270 1/20 0.49

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
SCHEMBL7993961 0.86 HTR2A (0.53) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7997830 0.86 HTR2A (0.53) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7997354 0.81 GPR84 (0.48) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL7983652 0.81 SLC6A4 (0.41) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL25428141 0.80 MPO (0.50) MPOSLC6A4HTR1A
SCHEMBL7984083 0.80 HTR2B (0.52) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7983657 0.80 GPR84 (0.49) MPOSLC6A4NOTUMHTR2ATRPM8
SCHEMBL8001578 0.77 HTR2A (0.57) MPONOTUMHTR2ATRPM8HTR1A
SCHEMBL7997990 0.77 HTR2A (0.57) MPONOTUMHTR2ATRPM8HTR1A
SCHEMBL7995675 0.77 HTR2A (0.57) MPONOTUMHTR2ATRPM8HTR1A

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-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed