SCHEMBL27494652

SCHEMBL27494652

[CH2]CCNCC(O)CP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.37
ERAP2 Q6P179 2/20 0.33
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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
SCHEMBL11439588 0.72 GABBR2 (0.36) ANPEPGABBR2GABBR1
SCHEMBL5000123 0.72 GABBR2 (0.36) ANPEPGABBR2GABBR1
SCHEMBL9243592 0.68
SCHEMBL9749702 0.66
SCHEMBL29486054 0.65 TSHR (0.43)
SCHEMBL5038703 0.64 TGFBR1 (0.33)
SCHEMBL27810792 0.64 LPAR5 (0.38) GABBR2GABBR1
SCHEMBL17459879 0.63
SCHEMBL20471 0.63
SCHEMBL31406285 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN disclosed