SCHEMBL9202012

SCHEMBL9202012

NCCCC(NCc1ccc(Br)cc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPY1R P25929 8/20 0.43
▸ NPY4R P50391 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ NPFFR1 Q9GZQ6 2/20 0.41
▸ NPFFR2 Q9Y5X5 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
SCHEMBL8653899 0.90 NPY1R (0.52) TLR2NPY1RNPY4RNPY5RNPFFR1
SCHEMBL9202016 0.82 NPY1R (0.62) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8018853 0.78 NPY1R (0.52) TLR2MEN1KMT2ANPY1RNPY4R
SCHEMBL9201265 0.78 CTSD (0.45) MEN1KMT2ACNR1CNR2NPY1R
SCHEMBL9201253 0.78 CTSD (0.45) MEN1KMT2ACNR1CNR2NPY1R
SCHEMBL27453149 0.76 TLR2 (0.61) TLR2
SCHEMBL8058943 0.75 CNR1 (0.49) MEN1KMT2ACNR1CNR2
SCHEMBL5057899 0.75 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL1388313 0.75 NPY1R (0.44) TLR2CNR1NPY1RNPY4RNPY5R
SCHEMBL9275427 0.74 TLR2 (0.62) TLR2

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
Send feedback