SCHEMBL7684372

SCHEMBL7684372

CC(C)CC(N)C1C(N(C)C(=O)OCc2ccccc2)CC(C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ CTSK P43235 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CTSL P07711 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ PSMB5 P28074 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33

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
SCHEMBL6697716 1.00 SIGMAR1 (0.42) SIGMAR1CTSKKMT2ACTSLL3MBTL1
SCHEMBL7027500 0.91 SIGMAR1 (0.45) SIGMAR1CTSKCTSLCTSBCTSS
SCHEMBL6697245 0.86 SIGMAR1 (0.40) SIGMAR1CTSKKMT2ACTSLL3MBTL1
SCHEMBL6702372 0.85 SIGMAR1 (0.43) SIGMAR1CTSKKMT2ACTSLL3MBTL1
SCHEMBL6697678 0.82 SIGMAR1 (0.43) SIGMAR1CTSKKMT2ACTSLL3MBTL1
SCHEMBL6702380 0.81 SIGMAR1 (0.43) SIGMAR1CTSKKMT2ACTSLL3MBTL1
SCHEMBL6697877 0.80 SIGMAR1 (0.46) SIGMAR1KMT2ACTSLL3MBTL1ALDH1A1
SCHEMBL7684379 0.79 SIGMAR1 (0.41) SIGMAR1KMT2ACTSLL3MBTL1ADORA3
SCHEMBL6697720 0.79 SIGMAR1 (0.41) SIGMAR1KMT2ACTSLL3MBTL1ADORA3
SCHEMBL6695382 0.79 SIGMAR1 (0.45) SIGMAR1KMT2ACTSLL3MBTL1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 — — US disclosed
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