SCHEMBL7363532

SCHEMBL7363532

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
PAX8 Q06710 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8894925 0.91 TSHR (0.49) TSHRL3MBTL1GAACHRNB2CHRNB4
SCHEMBL8894917 0.91 TSHR (0.49) TSHRL3MBTL1GAACHRNB2CHRNB4
SCHEMBL7359575 0.91 TSHR (0.49) TSHRL3MBTL1GAACHRNB2CHRNB4
SCHEMBL7362797 0.89 SRC (0.47) TSHRL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL7362758 0.89 GAA (0.48) TSHRL3MBTL1GAACHRNB2CHRNB4
SCHEMBL7363069 0.88 PLG (0.52) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7364449 0.88 CHRNB2 (0.47) TSHRL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL7362768 0.87 GAA (0.47) TSHRL3MBTL1GAACHRNB2CHRNB4
SCHEMBL7359283 0.87 CAPN9 (0.49) L3MBTL1PLGLMNA
SCHEMBL7363926 0.86 L3MBTL1 (0.47) L3MBTL1KMT2A

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