SCHEMBL2638376

SCHEMBL2638376

CC(=O)N[C@H]([C]=O)Cc1cnc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.55
MMP9 P14780 2/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
MMP3 P08254 1/20 0.46
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TPH1 P17752 1/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGAM O43451 1/20 0.40
FAAH O00519 4/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL9751596 0.84 CTSC (0.55) ACACBMMP9MMP2MMP8MMP1
SCHEMBL10720549 0.82 CTSL (0.48) MMP9MMP2MMP8SCN9A
SCHEMBL10720556 0.82 CTSL (0.48) MMP9MMP2MMP8SCN9A
SCHEMBL7037005 0.81 ACACB (0.53) ACACBMMP9MMP2MMP8MMP1
SCHEMBL7037002 0.81 ACACB (0.53) ACACBMMP9MMP2MMP8MMP1
SCHEMBL7897044 0.80 ACACB (0.54) ACACBMMP9MMP2MMP8FCER2
SCHEMBL2265958 0.80 ACACB (0.54) ACACBMMP9MMP2MMP8FCER2
SCHEMBL2638379 0.80 ACACB (0.52) ACACBMMP9MMP2MMP8MMP1
SCHEMBL7862749 0.80 ACACB (0.52) ACACBMMP9MMP2MMP8MMP1
SCHEMBL334301 0.76 CTRB1 (0.57) ACACBRAB9ALMNANPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP claimed
EP-0673254-A4 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS. ABBOTT LAB (US) 1998-11-18 EP claimed
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 EP claimed
US-5698522-A INHIBIT RELEASE OF LUTEINIZING HORMONE RELEASING HORMONE ABBOTT LABORATORIES (US) 1997-12-16 US claimed
JP-H08505611-A 1996-06-18 JP claimed
JP-H08504209-A 1996-05-07 JP claimed
EP-0683792-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1995-11-29 EP claimed
EP-0673254-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-27 EP claimed
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 WO claimed
WO-1994013313-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1994-06-23 WO claimed
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP disclosed
EP-0673254-A4 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS. ABBOTT LAB (US) 1998-11-18 EP disclosed
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 EP disclosed
US-5698522-A INHIBIT RELEASE OF LUTEINIZING HORMONE RELEASING HORMONE ABBOTT LABORATORIES (US) 1997-12-16 US disclosed
US-5508383-A Cyclic peptide LHRH antagonists TAP HOLDINGS INC. (US) 1996-04-16 US disclosed
EP-0683792-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
EP-0673254-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-27 EP disclosed
WO-1995024424-A1 CYCLIC PEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-14 WO disclosed
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
WO-1994013313-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1994-06-23 WO disclosed