SCHEMBL7343580

SCHEMBL7343580

Cc1cc(NC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)N(C)C(C)P(=O)(O)O)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
KCNB1 Q14721 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MME P08473 1/20 0.39
ANPEP P15144 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37

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
SCHEMBL7308016 0.87 ALDH1A1 (0.45) MCHR1MAPTALDH1A1MMEANPEP
SCHEMBL7343564 0.78 USP30 (0.46) MAPTTP53CYP1A2MMEANPEP
SCHEMBL7348051 0.77 ACP3 (0.50) MAPTALDH1A1MMEANPEP
SCHEMBL7322719 0.77 ACP3 (0.50) MAPTALDH1A1MMEANPEP
SCHEMBL7309958 0.75 MMEL1 (0.58) MME
SCHEMBL7318079 0.75 MMEL1 (0.58) MME
SCHEMBL28291198 0.70 TP53 (0.52) MAPTTP53CYP1A2
SCHEMBL7308501 0.70 MMEL1 (0.43)
SCHEMBL7306722 0.69 NR1H4 (0.46) MAPTALDH1A1TAAR1
SCHEMBL7343009 0.68 HDAC3 (0.39) MME

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
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed