SCHEMBL9195398

SCHEMBL9195398

CCOc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ EPOR P19235 10/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL7750620 0.94 KMT2A (0.41) KMT2AMEN1EPORKLKB1KLK1
SCHEMBL8121285 0.91 EPOR (0.41) KMT2AMEN1EPORKLKB1KLK1
SCHEMBL9195083 0.91 CNR1 (0.43) KMT2AALDH1A1CNR2
SCHEMBL9194746 0.91 CNR1 (0.43) KMT2AALDH1A1CNR2
SCHEMBL9196217 0.88 MEN1 (0.42) KMT2AMEN1CNR2
SCHEMBL9200838 0.88 CNR1 (0.42) KMT2AMEN1EPORCNR2
SCHEMBL9195693 0.87 NPY1R (0.42) CNR2
SCHEMBL9201122 0.86 TDP1 (0.48) KMT2AMEN1RAB9A
SCHEMBL9199526 0.86 CNR1 (0.43) MAPTCNR2
SCHEMBL6901612 0.85 CNR1 (0.43) KMT2AALDH1A1CNR2

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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