SCHEMBL9203837

SCHEMBL9203837

COC(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)C(=O)[C@H](N)CCCNC(=N)N)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ NPY4R P50391 5/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ TPSAB1 Q15661 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MASP2 O00187 1/20 0.35
▸ CASR P41180 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR5 Q9H1C0 1/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL9200886 0.91 TPSAB1 (0.39) NPY4RNPY1RTPSAB1TDP1MEN1
SCHEMBL6901610 0.90 CNR1 (0.43) TDP1MEN1KMT2ACASR
SCHEMBL1389117 0.89 CNR1 (0.41) F10PRSS1NPY4RNPY1RTDP1
SCHEMBL1388355 0.88 TDP1 (0.37) NPY4RNPY1RTPSAB1TDP1MEN1
SCHEMBL4650866 0.85 NPY1R (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9200988 0.85 CYP2C9 (0.38) F10NPY1RTDP1MEN1KMT2A
SCHEMBL8121296 0.83 F2 (0.38) F2F10PRSS1NR3C1TPSAB1
SCHEMBL9276101 0.82 CNR1 (0.39) NPY1RTPSAB1
SCHEMBL9202531 0.81 MEN1 (0.38) F10PRSS1NPY4RNPY1RMEN1
SCHEMBL8120634 0.80 PRSS1 (0.37) F2F10PRSS1NR3C1TPSAB1

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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