SCHEMBL7856009

SCHEMBL7856009

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 1/20 0.42
CTSL P07711 2/20 0.42
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PTK2B Q14289 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7864197 1.00 CASP1 (0.47) CASP1LOXL2CYP1A2MEN1KMT2A
SCHEMBL2270111 0.81 TACR1 (0.51) CASP1MEN1KMT2ACTSLCAPN1
SCHEMBL2269291 0.81 TACR1 (0.51) CASP1MEN1KMT2ACTSLCAPN1
SCHEMBL7856008 0.80 ACACB (0.44) CASP1LOXL2CYP1A2MEN1KMT2A
SCHEMBL10720567 0.79 CTSB (0.49) CTSL
SCHEMBL7863671 0.76 PTPRA (0.49) CYP1A2MEN1KMT2AACACBMAPT
SCHEMBL27264324 0.76 PTPRA (0.49) CYP1A2MEN1KMT2AACACBMAPT
SCHEMBL7862733 0.76 PTPRA (0.49) CYP1A2MEN1KMT2AACACBMAPT
SCHEMBL7123258 0.75 CTSL (0.71) CYP1A2MEN1KMT2ACTSLLMNA
SCHEMBL2268084 0.75 TACR1 (0.50) CTSLTP53SMN1; SMN2

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
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 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
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed