SCHEMBL7983652

SCHEMBL7983652

NC(CCc1c[nH]c2cc(Cl)c(Cl)cc12)OC(=O)/C=C/C(=O)OC(N)CCc1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
HTR2B P41595 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MPO P05164 2/20 0.37
GPR84 Q9NQS5 1/20 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
SCHEMBL7993961 0.86 HTR2A (0.53) SLC6A4MTNR1AMTNR1BHTR2BMPO
SCHEMBL8001659 0.81 MPO (0.62) SLC6A4MTNR1AMTNR1BKMT2AMPO
SCHEMBL7997830 0.81 HTR2A (0.53) SLC6A4MTNR1AMTNR1BLMNACYP1A2
SCHEMBL7984083 0.80 HTR2B (0.52) SLC6A4MTNR1AMTNR1BLMNACYP1A2
SCHEMBL7995675 0.79 HTR2A (0.57) MTNR1AMTNR1BCYP1A2KMT2AMEN1
SCHEMBL7997990 0.79 HTR2A (0.57) MTNR1AMTNR1BCYP1A2KMT2AMEN1
SCHEMBL8001578 0.79 HTR2A (0.57) MTNR1AMTNR1BCYP1A2KMT2AMEN1
SCHEMBL7998078 0.79 GPR84 (0.48) SLC6A4MTNR1AMTNR1BKMT2AMEN1
SCHEMBL7998303 0.78 HTR1D (0.47) MTNR1AMTNR1BCYP1A2CYP2C19KMT2A
SCHEMBL7997354 0.74 GPR84 (0.48) SLC6A4LMNAKMT2AMPOGPR84

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