SCHEMBL7652023

SCHEMBL7652023

CCCc1ccc(OCC(=O)NC(CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.60
MAPT P10636 4/20 0.53
P2RY14 Q15391 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL7088635 0.94 TACR1 (0.61) TACR1MAPTP2RY14LMNATP53
SCHEMBL7085266 0.94 TACR1 (0.62) TACR1MAPTP2RY14LMNATP53
SCHEMBL7656874 0.93 TACR1 (0.61) TACR1MAPTP2RY14MEN1POLB
SCHEMBL7089795 0.93 TACR1 (0.59) TACR1MAPTP2RY14LMNATP53
SCHEMBL7088170 0.93 TACR1 (0.69) TACR1MAPTP2RY14LMNATP53
SCHEMBL7089245 0.93 TACR1 (0.68) TACR1MAPTP2RY14LMNATP53
SCHEMBL7090514 0.92 TACR1 (0.58) TACR1MAPTP2RY14LMNATP53
SCHEMBL7088789 0.92 TACR1 (0.62) TACR1MAPTP2RY14MEN1POLB
SCHEMBL7087794 0.92 TACR1 (0.62) TACR1MAPTP2RY14LMNATP53
SCHEMBL7088018 0.92 TACR1 (0.62) TACR1MAPTP2RY14MEN1POLB

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