SCHEMBL7864181

SCHEMBL7864181

N[C@H]([C]=O)Cc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
NCF1 P14598 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
PTK2B Q14289 2/20 0.43
CYP1A2 P05177 2/20 0.42
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ESR1 P03372 1/20 0.40
FERMT2 Q96AC1 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL7864179 1.00 LOXL2 (0.54) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL6217851 0.84 LOXL2 (0.54) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL9770921 0.83 LOXL2 (0.53) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL8908234 0.78 LOXL2 (0.59) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL22401382 0.78 LOXL2 (0.59) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL7864183 0.77 LOXL2 (0.54) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL7864248 0.77 LOXL2 (0.54) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL26430532 0.77 LOXL2 (0.62) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL8908138 0.77 LOXL2 (0.58) LOXL2NCF1SMN1; SMN2NPC1RAB9A
SCHEMBL6210594 0.77 LOXL2 (0.62) LOXL2NCF1SMN1; SMN2NPC1RAB9A

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