SCHEMBL7864248

SCHEMBL7864248

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
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
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
PTK2B Q14289 2/20 0.40
FERMT2 Q96AC1 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7864183 1.00 LOXL2 (0.54) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL22401382 0.78 LOXL2 (0.59) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL8908234 0.78 LOXL2 (0.59) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL7864179 0.77 LOXL2 (0.54) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL7864181 0.77 LOXL2 (0.54) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL6210594 0.77 LOXL2 (0.62) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL8908138 0.77 LOXL2 (0.58) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL26430532 0.77 LOXL2 (0.62) LOXL2NCF1CYP1A2HTR1AADRA1D
SCHEMBL503050 0.76 LOXL2 (0.53) LOXL2NCF1CYP1A2MAPTALDH1A1
SCHEMBL503049 0.76 LOXL2 (0.53) LOXL2NCF1CYP1A2MAPTALDH1A1

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