SCHEMBL1718474

SCHEMBL1718474

CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.53
SIRT5 Q9NXA8 2/20 0.50
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
FOLH1 Q04609 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPY4R P50391 10/20 0.43
NPY1R P25929 7/20 0.43
NPY5R Q15761 5/20 0.43
NPY2R P49146 3/20 0.43
ALB P02768 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 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
SCHEMBL29454444 1.00 GNPAT (0.53) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL31094973 1.00 GNPAT (0.53) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL29655002 1.00 GNPAT (0.53) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL1705359 0.96 GNPAT (0.50) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL30526285 0.94 FOLH1 (0.49) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL6026003 0.94 FOLH1 (0.49) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL468901 0.94 FOLH1 (0.49) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL446929 0.94 FOLH1 (0.49) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL29396582 0.94 SIRT6 (0.56) GNPATSIRT5SIRT6SIRT1FOLH1
SCHEMBL29397145 0.94 SIRT6 (0.56) GNPATSIRT5SIRT6SIRT1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 CN disclosed
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed
CN-110944998-B Dihydro-pyrrolo-pyridine derivatives 辉瑞大药厂 2022-08-16 CN disclosed
CN-105121439-A Azabenzimidazole compounds as inhibitors of pde4 isozymes for the treatment of cns and other disorders PFIZER 2015-12-02 CN disclosed
CN-104662021-A Novel bicyclic pyridinones PFIZER 2015-05-27 CN disclosed
CN-102292340-B Amino-heterocyclic compounds used as pde9 inhibitors PFIZER 2015-05-06 CN disclosed
CN-101687876-B Amino-heterocyclic compounds PFIZER 2012-12-12 CN disclosed
EP-2152712-B1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER (US) 2012-01-11 EP disclosed
CN-102292340-A Amino-heterocyclic compounds used as PDE9 inhibitors 2011-12-21 CN disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
CN-101687876-A amino-heterocyclic compounds PFIZER 2010-03-31 CN disclosed