SCHEMBL7555448

SCHEMBL7555448

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
SLC7A5 Q01650 2/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
AOC3 Q16853 1/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
KCNJ1 P48048 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AKR1C3 P42330 1/20 0.50

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
SCHEMBL7555443 1.00 HRH3 (0.56) HRH3SLC7A5NOS3NOS1NOS2
SCHEMBL31754288 0.88 SLC7A5 (0.57) HRH3SLC7A5ALPIPKMPTGS1
SCHEMBL6753271 0.85 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28706525 0.85 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5024981 0.85 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7410961 0.81 ACACB (0.56) HRH3SLC7A5HPGDSMN1; SMN2ALDH1A1
SCHEMBL8711587 0.80 HIF1A (0.51) HRH3AOC3HTTHPGDHIF1A
SCHEMBL19234910 0.80 LMNA (0.48) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19234914 0.80 LMNA (0.48) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19234896 0.80 KDM4E (0.62) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1136915-C Use of nona- and decapeptides in the preparation of a drug for the treatment of aids �����ɷ� 2004-02-04 CN disclosed
EP-0703786-B1 USE OF NONA- AND DECAPEPTIDES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF AIDS ZENTARIS AG (DE) 2002-02-13 EP disclosed
US-5985834-A LHRH-ANTAGONISTIC AND BOMBESIN-ANTAGONISTIC NONA- AND DECAPEPTIDES SUITABLE FOR USE IN PREPARATION OF DRUG FOR TREATMENT OF AIDS AND ARC (AIDS RELATED COMPLEX) AS WELL AS FOR USE IN PREPARATION OF IMMUNOSTIMULATION DRUG ASTA MEDICA AG (DE) 1999-11-16 US disclosed
CN-1125400-A Use of nona- and decapeptides in the preparation of a drug for the treatment of aids ASTA MEDICA AG (DE) 1996-06-26 CN disclosed