SCHEMBL7995675

SCHEMBL7995675

COc1ccc2c(CC[C@H](N)OC(=O)/C=C/C(=O)O[C@@H](N)CCc3c[nH]c4cc(OC)ccc34)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MTNR1A P48039 4/20 0.56
MTNR1B P49286 3/20 0.56
HTR6 P50406 2/20 0.52
MAPT P10636 4/20 0.49
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR7 P34969 1/20 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
SCHEMBL8001578 1.00 HTR2A (0.57) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7997990 1.00 HTR2A (0.57) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7998303 0.90 HTR1D (0.47) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7984083 0.81 HTR2B (0.52) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7983652 0.79 SLC6A4 (0.41) HTR2AMEN1KMT2AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10491412 0.78 MEN1 (0.75) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL23927859 0.78 HTR6 (0.52) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7993961 0.77 HTR2A (0.53) HTR2AMTNR1AMTNR1BHTR6HTR1A
SCHEMBL7997830 0.77 HTR2A (0.53) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8001659 0.77 MPO (0.62) HTR2AKMT2AMTNR1AMTNR1BHTR1A

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