SCHEMBL7862731

SCHEMBL7862731

CC(=O)N[C@H]([C]=O)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.49
FDPS P14324 1/20 0.45
ACACB O00763 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 2/20 0.43
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 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
SCHEMBL10402315 0.87 PTPRA (0.48) PTPRAFDPSACACBSMN1; SMN2CYP1A2
SCHEMBL27674781 0.81 CTSS (0.43) PTPRAFDPSSMN1; SMN2CYP1A2HDAC6
SCHEMBL7109557 0.81 CTSS (0.43) PTPRAFDPSSMN1; SMN2CYP1A2HDAC6
SCHEMBL8385587 0.80 ACACB (0.56) PTPRAFDPSACACBSMN1; SMN2CYP1A2
SCHEMBL8385561 0.80 ACACB (0.56) PTPRAFDPSACACBSMN1; SMN2CYP1A2
SCHEMBL11989413 0.80 ACACB (0.56) PTPRAFDPSACACBSMN1; SMN2CYP1A2
SCHEMBL7897139 0.78 PTPRA (0.58) PTPRAFDPSSMN1; SMN2CYP1A2TSHR
SCHEMBL29166033 0.78 PTPRA (0.58) PTPRAFDPSSMN1; SMN2CYP1A2TSHR
SCHEMBL7862733 0.77 PTPRA (0.49) PTPRAFDPSACACBSMN1; SMN2CYP1A2
SCHEMBL8308672 0.77 PTPRA (0.53) PTPRAFDPSACACBSMN1; SMN2CYP1A2

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 7 patents. 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 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
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-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