SCHEMBL9202313

SCHEMBL9202313

COc1cccc(CCNC(=O)C(CCC(N)/C(N)=N\[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ NPY1R P25929 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL9202326 1.00 MTNR1A (0.42) MTNR1AMTNR1BNPY1RKMT2AMEN1
SCHEMBL9195767 0.91 CNR1 (0.46) NPY1RKMT2ACNR1CNR2
SCHEMBL9195779 0.91 CNR1 (0.46) NPY1RKMT2ACNR1CNR2
SCHEMBL9194703 0.86 CNR1 (0.43) NPY1RCNR1CNR2
SCHEMBL9194672 0.84 NPY1R (0.50) NPY1R
SCHEMBL9194665 0.84 NPY1R (0.50) NPY1R
SCHEMBL9201156 0.82 CNR1 (0.53) NPY1RCNR1CNR2
SCHEMBL9201150 0.82 CNR1 (0.53) NPY1RCNR1CNR2
SCHEMBL9199470 0.81 NPY1R (0.51) NPY1R
SCHEMBL9199479 0.81 NPY1R (0.51) NPY1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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