SCHEMBL7651402

SCHEMBL7651402

CCCCNC(=O)Nc1ccc(OCC(=O)NC(CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.54
MAPT P10636 5/20 0.45
P2RY14 Q15391 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 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
SCHEMBL7654441 0.89 TACR1 (0.60) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7089245 0.88 TACR1 (0.68) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7652023 0.87 TACR1 (0.60) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7087794 0.87 TACR1 (0.62) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7088635 0.86 TACR1 (0.61) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7090456 0.86 TACR1 (0.61) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7091686 0.86 TACR1 (0.69) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7089107 0.85 TACR1 (0.45) TACR1MAPTMEN1KMT2AALDH1A1
SCHEMBL7084238 0.85 TACR1 (0.63) TACR1MAPTP2RY14MEN1KMT2A
SCHEMBL7082671 0.85 TACR1 (0.60) TACR1MAPTP2RY14MEN1KMT2A

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