SCHEMBL7358752

SCHEMBL7358752

CCCNC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
LAP3 P28838 3/20 0.48
ANPEP P15144 2/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
POLB P06746 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
NMBR P28336 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 1/20 0.43

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
SCHEMBL7362904 0.90 LAP3 (0.51) L3MBTL1LAP3ANPEPRNPEPDNPEP
SCHEMBL7353908 0.89 LAP3 (0.50) L3MBTL1LAP3ANPEPRNPEPDNPEP
SCHEMBL7353915 0.87 LAP3 (0.48) L3MBTL1LAP3ANPEPRNPEPDNPEP
SCHEMBL7359283 0.87 CAPN9 (0.49) L3MBTL1LAP3ANPEPRNPEPDNPEP
SCHEMBL7358991 0.80 CTNNB1 (0.50) CTSLCTSSCTSKMMP2
SCHEMBL8875868 0.79 PLG (0.53) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7361514 0.78 BACE1 (0.48) L3MBTL1CTSLCTSSCTSKMEN1
SCHEMBL8875880 0.77 PLG (0.51) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7358942 0.77 KMT2A (0.53) L3MBTL1CTSLCTSSCTSKMEN1
SCHEMBL7361525 0.76 BACE1 (0.47) L3MBTL1CTSLCTSSCTSK

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