SCHEMBL8711587

SCHEMBL8711587

CN[C@@H](Cc1ccc(CN2CCOCC2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.49
AOC3 Q16853 1/20 0.49
KCNJ1 P48048 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.47
TP53 P04637 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
SCHEMBL21689981 0.82 ACACB (0.56) HRH3SMN1; SMN2HTTNPC1RAB9A
SCHEMBL27041590 0.81 ACE (0.55) KMT2AKCNJ1MAPK1
SCHEMBL27041599 0.81 ACE (0.55) KMT2AKCNJ1MAPK1
SCHEMBL7555443 0.80 HRH3 (0.56) HIF1AEPAS1HRH3SMN1; SMN2HTT
SCHEMBL7555448 0.80 HRH3 (0.56) HIF1AEPAS1HRH3SMN1; SMN2HTT
SCHEMBL21690039 0.79 KMT2A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL21690109 0.79 KMT2A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL23194179 0.78 CACNA1B (0.45) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL21690040 0.77 FKBP1A (0.65) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL27848477 0.76 HRH3 (0.55) HIF1AEPAS1HRH3SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 EP disclosed
EP-0683792-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed