SCHEMBL7302792

SCHEMBL7302792

CC(C)(C)OC(=O)N(CN=O)N(C#N)[C@@H](Cc1ccccc1)C(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CHRM1 P11229 7/20 0.38
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL7310586 0.83 TSHR (0.45) HPGDTSHRGAACHRM1KMT2A
SCHEMBL10421850 0.73 TSHR (0.52) HPGDTSHRGAACHRM1KMT2A
SCHEMBL10420620 0.72 TSHR (0.50) HPGDTSHRGAACHRM1KMT2A
SCHEMBL6952090 0.71 ADORA1 (0.46) DPP7
SCHEMBL10420636 0.70 DPP7 (0.53) HPGDTSHRGAACHRM1KMT2A
SCHEMBL1797490 0.68 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL1797492 0.68 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL23879177 0.67 CTSL (0.45) HPGDTSHRGAAKMT2ACTSS
SCHEMBL6350465 0.67 KMT2A (0.66) KMT2AMAPK1CTSSCTSLCTSB
SCHEMBL3271144 0.66 REN (0.40) HPGDTSHRGAACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508220-B1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE AG (DE) 1995-07-26 EP disclosed
US-5274098-A Amidinophenylalanine derivatives, process for their preparation, their use and compositions containing them BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0508220-A1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1992-10-14 EP disclosed