SCHEMBL20079182

SCHEMBL20079182

COc1ccc(CNCC[C@H](C)I)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.67
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
DPP7 Q9UHL4 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL18233617 0.88 APLNR (0.71) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL7768853 0.85 APLNR (0.86) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL783785 0.81 APLNR (1.00) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL29987676 0.81 APLNR (0.63) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL18256578 0.80 APLNR (0.77) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL22048877 0.79 APLNR (0.65) APLNRHTR2AHTR2CTSHR
SCHEMBL31114343 0.79 APLNR (0.75) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL14971128 0.79 APLNR (0.75) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL29580030 0.79 APLNR (0.75) APLNRHTR2AHTR2CDPP7MEN1
SCHEMBL16735971 0.79 APLNR (0.60) APLNRHTR2AHTR2CDPP7MEN1

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-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed