SCHEMBL9561398

SCHEMBL9561398

CSCCC(C(=O)O)N(C(=O)C(N)Cc1c[nH]cn1)C(=O)C(N)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
DNPEP Q9ULA0 1/20 0.31
SLC7A5 Q01650 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL5598780 0.86 CPB2 (0.34) ANPEPRNPEPDNPEPSLC7A5
Histidine SCHEMBL28237926 0.82 SLC7A5 (0.40) ANPEPRNPEPDNPEPSLC7A5FNTA
SCHEMBL28101256 0.81 ANPEP (0.33) ANPEPRNPEPDNPEPSLC7A5
SCHEMBL3750901 0.81 ANPEP (0.31) ANPEPRNPEPDNPEPSLC7A5
SCHEMBL27691471 0.80 ANPEP (0.44) ANPEPRNPEPDNPEPSLC7A5
Histidine SCHEMBL342891 0.78 CYP3A4 (0.40) RNPEPSLC7A5
Histidine SCHEMBL27681989 0.78 CYP3A4 (0.40) RNPEPSLC7A5
Histidine SCHEMBL342892 0.78 CYP3A4 (0.40) RNPEPSLC7A5
SCHEMBL1959818 0.78 CPB2 (0.33)
Histidine SCHEMBL28650960 0.77 CYP3A4 (0.40) RNPEPSLC7A5

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-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 EP disclosed
US-5110798-A Immunomodulators for bone marrow transplants CO PHARMA CORPORATION S.R.L. (IT) 1992-05-05 US disclosed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 EP disclosed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 WO disclosed