SCHEMBL7276447

SCHEMBL7276447

O[C@H](CC1CCCCC1)[C@@H](OCc1ccccc1)[C@H](CN1CCOCC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
CTSS P25774 4/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
POLB P06746 1/20 0.41
REN P00797 7/20 0.40
MEN1 O00255 2/20 0.40
CTSK P43235 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7268032 0.82 KMT2A (0.39) KMT2AGAACTSSCTSLCTSB
SCHEMBL7266047 0.82 KMT2A (0.36) KMT2AGAACTSSCTSLCTSB
SCHEMBL7268038 0.70 CTSS (0.36) CTSSCTSLCTSBREN
SCHEMBL7278327 0.69 CASP1 (0.45) CTSSCTSLCTSBRENCTSK
SCHEMBL9504651 0.69 METAP2 (0.43) CTSSCTSLCTSBPOLB
SCHEMBL9506681 0.69 METAP2 (0.43) CTSSCTSLCTSBPOLB
SCHEMBL9506639 0.68 CA1 (0.40) KMT2ACTSSCTSLCTSBPOLB
SCHEMBL7276562 0.68 REN (0.35) CTSSCTSLCTSBRENCTSK
SCHEMBL7267165 0.68 CTSS (0.39) CTSSCTSLCTSBRENCTSK
SCHEMBL9082105 0.67 HTT (0.34) KMT2AGAACTSSCTSLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed