SCHEMBL17060769

SCHEMBL17060769

N#Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 2/20 0.61
▸ DPP4 P27487 3/20 0.57
▸ SLC7A5 Q01650 3/20 0.57
▸ PTGS1 P23219 3/20 0.56
▸ ALPI P09923 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ XIAP P98170 1/20 0.56
▸ MMP12 P39900 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ FAP Q12884 2/20 0.49
▸ DPP8 Q6V1X1 2/20 0.49
▸ DPP9 Q86TI2 2/20 0.49
▸ DPP7 Q9UHL4 2/20 0.49
▸ GRB2 P62993 1/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EGFR P00533 1/20 0.49

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
SCHEMBL14601776 1.00 TPH1 (0.61) TPH1DPP4SLC7A5PTGS1ALPI
SCHEMBL838534 0.95 SLC7A5 (0.62) TPH1DPP4SLC7A5PTGS1ALPI
SCHEMBL43594 0.95 SLC7A5 (0.62) TPH1DPP4SLC7A5PTGS1ALPI
SCHEMBL43593 0.95 SLC7A5 (0.62) TPH1DPP4SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL10420165 0.93 SLC7A5 (0.61) TPH1DPP4SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL1183792 0.93 SLC7A5 (0.61) TPH1DPP4SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL9710930 0.93 SLC7A5 (0.61) TPH1DPP4SLC7A5PTGS1ALPI
SCHEMBL23077761 0.88 SLC7A5 (0.54) TPH1DPP4SLC7A5PTGS1ALPI
SCHEMBL289815 0.87 DPP4 (0.57) TPH1DPP4MMP12MMP13FAP
SCHEMBL289816 0.87 DPP4 (0.57) TPH1DPP4MMP12MMP13FAP

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-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 — — EP disclosed
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