SCHEMBL11027962

SCHEMBL11027962

COC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.69
MMP9 P14780 2/20 0.52
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
FNTA P49354 1/20 0.48
PGGT1B P53609 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
ATM Q13315 2/20 0.47
CTNNB1 P35222 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL11027965 1.00 TACR1 (0.69) TACR1MMP9MMEACECPA1
SCHEMBL3659382 0.87 MME (0.63) TACR1MMP9MMEACECPA1
SCHEMBL8673871 0.87 MME (0.63) TACR1MMP9MMEACECPA1
SCHEMBL2761181 0.87 MME (0.63) TACR1MMP9MMEACECPA1
SCHEMBL29372084 0.87 MME (0.63) TACR1MMP9MMEACECPA1
SCHEMBL19605957 0.87 TACR1 (0.55) TACR1MMP9MMEACECPA1
SCHEMBL15180399 0.86 TACR1 (0.52) TACR1MMP9MMEACECPA1
SCHEMBL3656170 0.82 TACR1 (0.53) TACR1MMP9MMEACECPA1
SCHEMBL19355121 0.81 OPRK1 (0.52) TACR1ATMKMT2AL3MBTL1OPRK1
SCHEMBL7065002 0.81 TACR1 (0.48) TACR1ATMMEN1KMT2AOPRK1

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-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 US disclosed