SCHEMBL9358783

SCHEMBL9358783

CC(C)C(=O)N1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTR2C P28335 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACE2 Q9BYF1 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
PREP P48147 3/20 0.45
SIGMAR1 Q99720 1/20 0.43
P2RX4 Q99571 1/20 0.43

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
SCHEMBL9358197 0.97 CTSL (0.51) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL16612115 0.88 KMT2A (0.58) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9355082 0.85 CTSB (0.47) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9355074 0.85 CTSB (0.47) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9354941 0.84 ALDH1A1 (0.53) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL7279646 0.84 KMT2A (0.54) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9358253 0.83 CTSB (0.44) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9358248 0.83 CTSB (0.44) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL9358292 0.81 ALDH1A1 (0.53) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL14030742 0.81 KMT2A (0.54) CTSLCTSKCTSBMEN1KMT2A

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-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed