SCHEMBL7027611

SCHEMBL7027611

CC(C)NC(CCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
GABRR1 P24046 2/20 0.43
CPB2 Q96IY4 9/20 0.42
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
GGT1 P19440 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7027613 1.00 FOLH1 (0.46) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL3725106 1.00 FOLH1 (0.46) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL209237 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL1413149 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL3727817 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL8191952 0.88 GABRR1 (0.52) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL756912 0.88 GABRR1 (0.52) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL8254457 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL4783069 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL4783065 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
EP-0804471-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-11-05 EP disclosed
US-5506207-A CONTRACEPTIVES, ANTITUMOR AGENTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-09 US disclosed
WO-1995025741-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1995-09-28 WO disclosed
EP-0377665-B1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE UNIV TEXAS (US) 1995-07-12 EP disclosed
EP-0536203-B1 COMBINED TREATMENT WITH GnRH ANTAGONIST AND GnRH TO CONTROL GONADOTROPIN LEVELS IN MAMMALS APPLIED RESEARCH SYSTEMS (AN) 1995-02-08 EP disclosed
WO-1994019370-A1 GNRH ANTAGONISTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-09-01 WO disclosed
WO-1991019743-A2 COMBINED TREATMENT WITH GnRH ANTAGONIST AND GnRH TO CONTROL GONADOTROPIN LEVELS IN MAMMALS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1991-12-26 WO disclosed
EP-0377665-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE. UNIV TEXAS (US) 1990-07-18 EP disclosed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 WO disclosed
WO-1989001944-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-09 WO disclosed