SCHEMBL7032672

SCHEMBL7032672

NCCCCC(NC(=O)c1ccncc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
FOLH1 Q04609 2/20 0.49
ERAP2 Q6P179 4/20 0.48
LNPEP Q9UIQ6 4/20 0.48
ERAP1 Q9NZ08 2/20 0.48
HDAC4 P56524 1/20 0.48
MEF2D Q14814 1/20 0.48
HPGDS O60760 1/20 0.48
GRIA1 P42261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7032674 1.00 CA2 (0.50) CA2CA1CA12CA9FOLH1
SCHEMBL23303649 0.96 CA2 (0.50) CA2CA1CA12CA9FOLH1
SCHEMBL23303651 0.96 CA2 (0.50) CA2CA1CA12CA9FOLH1
SCHEMBL607886 0.87 ITGB3 (0.60) CA2CA1CA12CA9FOLH1
SCHEMBL607885 0.87 ITGB3 (0.60) CA2CA1CA12CA9FOLH1
SCHEMBL7034241 0.84 LNPEP (0.60) CA2CA1CA12CA9FOLH1
SCHEMBL7034236 0.84 LNPEP (0.60) CA2CA1CA12CA9FOLH1
SCHEMBL9716710 0.84 ERAP2 (0.55) CA2CA1CA12CA9FOLH1
SCHEMBL9716715 0.84 ERAP2 (0.55) CA2CA1CA12CA9FOLH1
SCHEMBL1133842 0.84 LMNA (0.51) HDAC4MEF2DGRIA1CYP2C19

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 9 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-0822827-A4 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2001-07-11 EP disclosed
EP-0822827-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-02-11 EP disclosed
WO-1996033729-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-31 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-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-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