SCHEMBL1388680

SCHEMBL1388680

C[C@@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)C(=O)O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NMBR P28336 3/20 0.48
TACR1 P25103 4/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
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
SCHEMBL1388718 0.83 TACR1 (0.64) KMT2AMEN1TACR1
SCHEMBL1388717 0.83 TACR1 (0.64) KMT2AMEN1TACR1
SCHEMBL8198180 0.81 NMBR (0.59) NMBRTACR1
SCHEMBL8198181 0.81 NMBR (0.59) NMBRTACR1
SCHEMBL1388541 0.80 TACR1 (0.61) TACR1
SCHEMBL8088249 0.79 TACR1 (0.66) KMT2AMEN1TACR1
SCHEMBL1388699 0.79 TACR1 (0.66) KMT2AMEN1TACR1
SCHEMBL1388670 0.78 TACR1 (0.64) TACR1
SCHEMBL1388826 0.78 TACR1 (0.57) TACR1
SCHEMBL1388491 0.78 TACR1 (0.67) TACR1

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
JP-H08500361-A 1996-01-16 JP claimed