SCHEMBL7597936

SCHEMBL7597936

C[C@H](c1ccccc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.37
HTT P42858 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A1 P43005 1/20 0.36
TPSAB1 Q15661 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 4/20 0.35
TSHR P16473 4/20 0.35
CYP2C9 P11712 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7601629 1.00 FOLH1 (0.40) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7597915 0.97 FOLH1 (0.38) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7600478 0.97 FOLH1 (0.38) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7599024 0.94 CA1 (0.42) FOLH1CYP3A4TSHRALDH1A1KMT2A
SCHEMBL7595006 0.94 CA1 (0.42) FOLH1CYP3A4TSHRALDH1A1KMT2A
SCHEMBL7600882 0.93 TRPM8 (0.41) FOLH1MEN1KMT2A
SCHEMBL7600973 0.92 MMP2 (0.37) FOLH1SIRT2TPSAB1LMNAMEN1
SCHEMBL7601084 0.90 FOLH1 (0.37) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7597349 0.90 FOLH1 (0.37) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7595812 0.88 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed