SCHEMBL7363069

SCHEMBL7363069

CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.52
PRSS1 P07477 10/20 0.52
PRSS2 P07478 10/20 0.52
PRSS3 P35030 10/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
KLKB1 P03952 1/20 0.48
PLAU P00749 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 3/20 0.45
PTPRA P18433 1/20 0.45
GRIA1 P42261 1/20 0.45

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
SCHEMBL7364449 0.92 CHRNB2 (0.47) PLGPRSS1PRSS2PRSS3KMT2A
SCHEMBL7362797 0.91 SRC (0.47) PLGPRSS1PRSS2PRSS3KMT2A
SCHEMBL8894917 0.89 TSHR (0.49) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL7359575 0.89 TSHR (0.49) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL8894925 0.89 TSHR (0.49) PLGPRSS1PRSS2PRSS3CHRNB2
SCHEMBL7363926 0.89 L3MBTL1 (0.47) KMT2AL3MBTL1
SCHEMBL8875868 0.88 PLG (0.53) PLGPRSS1PRSS2PRSS3MEN1
SCHEMBL7363532 0.88 TSHR (0.46) PLGPRSS1PRSS2PRSS3KMT2A
SCHEMBL7359283 0.87 CAPN9 (0.49) PLGL3MBTL1
SCHEMBL7359406 0.87 MMP1 (0.49) KLKB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed