SCHEMBL5688808

SCHEMBL5688808

CSCC[C@H](NNCC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
LMNA P02545 2/20 0.43
RNPEP Q9H4A4 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
CA2 P00918 2/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL29456085 0.83 RNPEP (0.54) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL7057087 0.82 LMNA (0.49) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL27602423 0.81 FOLH1 (0.58) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL28558204 0.80 RNPEP (0.50) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL5988220 0.79 KDM4E (0.39) LMNARNPEPALDH1A1GAANPSR1
SCHEMBL31285813 0.78 FOLH1 (0.44) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL29572781 0.76 LMNA (0.43) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL8928051 0.75 RNPEP (0.54) FOLH1LMNARNPEPALDH1A1GAA
SCHEMBL30754260 0.75 FOLH1 (0.51) FOLH1LMNARNPEPALDH1A1NPSR1
SCHEMBL9194550 0.75 RNPEP (0.55) FOLH1LMNARNPEPALDH1A1GAA

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
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed