SCHEMBL7310586

SCHEMBL7310586

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CHRM1 P11229 3/20 0.40
DPP7 Q9UHL4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL1797490 0.83 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL1797492 0.83 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL7302792 0.83 HPGD (0.41) TSHRHPGDGAACTSSCTSL
SCHEMBL10421850 0.79 TSHR (0.52) TSHRHPGDGAACHRM1DPP7
SCHEMBL10420620 0.78 TSHR (0.50) TSHRHPGDGAACHRM1DPP7
SCHEMBL6952090 0.77 ADORA1 (0.46) DPP7FPR2
SCHEMBL10420636 0.76 DPP7 (0.53) TSHRHPGDGAACHRM1DPP7
SCHEMBL8838179 0.75 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL23879177 0.73 CTSL (0.45) TSHRHPGDGAACTSSCTSL
SCHEMBL6350465 0.72 KMT2A (0.66) CTSSCTSLCTSBCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513543-B1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE AG (DE) 1995-10-25 EP disclosed
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-0513543-A1 Derivatives of amidinophenylalanine, procedure for their preparation, their utilisation and anticoagulant compositions comprising them. BEHRINGWERKE Aktiengesellschaft (DE) 1992-11-19 EP 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