SCHEMBL7975494

SCHEMBL7975494

COC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.56
KMT2A Q03164 3/20 0.50
HCRTR2 O43614 6/20 0.49
MAPK1 P28482 1/20 0.47
HCRTR1 O43613 4/20 0.46
ACE P12821 1/20 0.46
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
PABPC1 P11940 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
SCN9A Q15858 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 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
SCHEMBL7975304 0.93 ADORA1 (0.50) ADORA1KMT2AHCRTR2HRH2HRH1
SCHEMBL7986565 0.87 ADORA1 (0.55) ADORA1KMT2AHRH2HRH1
SCHEMBL7987192 0.86 ADORA1 (0.53) ADORA1KMT2AHCRTR2MAPK1HCRTR1
SCHEMBL7989016 0.85 ADORA1 (0.54) ADORA1KMT2AHCRTR2MAPK1PABPC1
SCHEMBL7975784 0.85 ADORA1 (0.53) ADORA1KMT2AHCRTR2MAPK1HRH2
SCHEMBL7992050 0.85 ADORA1 (0.52) ADORA1KMT2AHCRTR2MAPK1HCRTR1
SCHEMBL7992666 0.85 ADORA1 (0.56) ADORA1KMT2AHCRTR2MAPK1HCRTR1
SCHEMBL7986071 0.85 ADORA1 (0.52) ADORA1KMT2AHCRTR2MAPK1PABPC1
SCHEMBL7975386 0.85 ADORA1 (0.53) ADORA1KMT2AHCRTR2MAPK1HCRTR1
SCHEMBL7985627 0.84 ADORA1 (0.52) ADORA1KMT2AHCRTR2MAPK1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed