SCHEMBL7862745

SCHEMBL7862745

CC(=O)N[C@H]([C]=O)Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
FDPS P14324 1/20 0.48
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TBXAS1 P24557 2/20 0.45
FPR1 P21462 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL7855990 0.83 ACACB (0.47) ACACBCYP3A4ALDH1A1
SCHEMBL4093741 0.83 CTSC (0.55) ACACBFDPSPKMKMT2ALMNA
SCHEMBL334301 0.83 CTRB1 (0.57) ACACBPKMLMNA
SCHEMBL334424 0.83 CTRB1 (0.57) ACACBPKMLMNA
SCHEMBL2843211 0.83 CTRB1 (0.57) ACACBPKMLMNA
SCHEMBL9657331 0.82 ACACB (0.65) ACACBFDPSLMNATBXAS1POLB
SCHEMBL9751597 0.81 FDPS (0.49) FDPSPKMKMT2ALMNANAPRT
SCHEMBL1649100 0.81 CTSC (0.62) PKMLMNAFPR1CYP1A2CYP3A4
SCHEMBL9439408 0.81 CYP3A4 (0.51) CYP3A4
SCHEMBL6192467 0.79 ACACB (0.48) ACACBFDPSPKMKMT2ANAPRT

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