SCHEMBL7862749

SCHEMBL7862749

CC(=O)N[C@H](C=O)Cc1cnc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.52
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
MMP3 P08254 1/20 0.46
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CAPN1 P07384 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2638379 1.00 ACACB (0.52) ACACBMMP9MMP1FCER2MMP3
SCHEMBL4373793 0.89 CAPN1 (0.46) ACACBMMP9MMP1FCER2MMP3
SCHEMBL10720561 0.82 CTSB (0.48) CAPN1
SCHEMBL7037002 0.81 ACACB (0.53) ACACBMMP9MMP1FCER2MMP3
SCHEMBL7037005 0.81 ACACB (0.53) ACACBMMP9MMP1FCER2MMP3
SCHEMBL2268486 0.80 CAPN1 (0.58) ACACBMMP9MMP8CAPN1
SCHEMBL2265964 0.80 CAPN1 (0.58) ACACBMMP9MMP8CAPN1
SCHEMBL2638376 0.80 ACACB (0.55) ACACBMMP9MMP1FCER2MMP3
SCHEMBL2269431 0.76 CAPN1 (0.58) CAPN1
SCHEMBL2266848 0.76 CAPN1 (0.58) CAPN1

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