SCHEMBL7653308

SCHEMBL7653308

COc1cccc(OCC(=O)N[C@@H](CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.58
MAPT P10636 5/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
P2RY14 Q15391 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7087794 0.93 TACR1 (0.62) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7089245 0.93 TACR1 (0.68) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7084996 0.92 TACR1 (0.58) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7087988 0.92 TACR1 (0.54) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7673246 0.91 TACR1 (0.58) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7087007 0.91 TACR1 (0.58) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7088984 0.90 TACR1 (0.66) TACR1MAPTMEN1KMT2APOLB
SCHEMBL7088811 0.90 TACR1 (0.56) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7090456 0.89 TACR1 (0.61) TACR1MAPTMEN1KMT2AP2RY14
SCHEMBL7091686 0.89 TACR1 (0.69) TACR1MAPTMEN1KMT2AP2RY14

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-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed