SCHEMBL7862733

SCHEMBL7862733

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
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 4/20 0.43
TSHR P16473 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
ACACB O00763 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 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
SCHEMBL7863671 1.00 PTPRA (0.49) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL27264324 1.00 PTPRA (0.49) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17275375 0.87 PTPRA (0.54) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13349692 0.83 PTPRA (0.42) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17167272 0.81 FDPS (0.46) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7109563 0.81 CTSK (0.48) PTPRACYP1A2HDAC6HDAC1ATM
SCHEMBL11989413 0.80 ACACB (0.56) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8385587 0.80 ACACB (0.56) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8385561 0.80 ACACB (0.56) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7444043 0.78 FDPS (0.42) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2

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