SCHEMBL8130404

SCHEMBL8130404

CC(C)C[C@H](N)C(=O)NN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.45
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LARS1 Q9P2J5 4/20 0.42
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35

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
SCHEMBL7301853 0.98 L3MBTL1 (0.46) ANPEPRNPEPDNPEPL3MBTL1SLC7A5
SCHEMBL8869669 0.79 L3MBTL1 (0.42) L3MBTL1DPP4DPP7DPP8DPP9
SCHEMBL28682071 0.79 L3MBTL1 (0.42) L3MBTL1DPP4DPP7DPP8DPP9
SCHEMBL22530895 0.76 PTGS1 (0.39) ANPEPL3MBTL1DPP7MMP2
SCHEMBL11115955 0.76 L3MBTL1 (0.36) L3MBTL1DPP7
SCHEMBL9684035 0.75 L3MBTL1 (0.39) L3MBTL1DPP4DPP7DPP8DPP9
SCHEMBL7301848 0.75 MMP1 (0.46) ANPEPRNPEPDNPEPSLC7A5LARS1
Hydrochloric Acid SCHEMBL11109067 0.75 L3MBTL1 (0.35) L3MBTL1DPP7
SCHEMBL10305720 0.74 L3MBTL1 (0.44) L3MBTL1
Hydrochloric Acid SCHEMBL11112714 0.73 L3MBTL1 (0.37) L3MBTL1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP disclosed
US-5451676-A Treatment of hypotension and bronchoconstriction BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-09-19 US disclosed
US-5274094-A Diseases or conditions mediated by platelet-activating factor; cyclization of a diamino compound with a carboxylic acid BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-12-28 US disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed
US-5200412-A Antiinflammatory agents and antiallergens BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-04-06 US disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed