SCHEMBL7299909

SCHEMBL7299909

CC(C)CCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.74
RNPEP Q9H4A4 2/20 0.74
DNPEP Q9ULA0 2/20 0.74
LAP3 P28838 4/20 0.72
L3MBTL1 Q9Y468 1/20 0.57
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 2/20 0.54
LMNA P02545 1/20 0.54
ALPI P09923 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53

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
SCHEMBL3210919 1.00 ANPEP (0.74) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL3210913 1.00 ANPEP (0.74) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL21010316 0.87 SLC15A1 (0.64) ANPEPRNPEPDNPEPLAP3CYP3A4
SCHEMBL6274018 0.87 ANPEP (0.57) ANPEPRNPEPDNPEPLAP3SLC7A5
SCHEMBL4952912 0.87 LAP3 (0.63) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL20467181 0.87 LAP3 (0.63) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL20467180 0.87 LAP3 (0.63) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL18492837 0.85 ANPEP (0.56) ANPEPRNPEPDNPEPLAP3
SCHEMBL12609437 0.85 ANPEP (1.00) ANPEPRNPEPDNPEPLAP3L3MBTL1
SCHEMBL24346075 0.84 MMP2 (0.60) ANPEPRNPEPDNPEPLAP3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889712-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
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
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 US disclosed
EP-0460239-A1 1,3,2-DIOXATHIOLANE OXIDE DERIVATIVE Japan Tobacco Inc. (JP) 1991-12-11 EP disclosed
US-4658013-A CONTAINING ALANINE, PHENYLALANINE AND/OR TYROSINE OR METHIONINE STERLING DRUG INC. (US) 1987-04-14 US disclosed