SCHEMBL7988324

SCHEMBL7988324

CC(C)(C)OC(=O)N=C(c1ccc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N2CCc3sc(CC(=O)O)cc3C2)cc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.42
ACE P12821 1/20 0.41
KMT2A Q03164 1/20 0.41
YAP1 P46937 3/20 0.40
ADORA1 P30542 1/20 0.39
HCRTR1 O43613 3/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
P2RX7 Q99572 3/20 0.36
FFAR1 O14842 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL7992634 0.95 HCRTR2 (0.43) HCRTR2ACEKMT2AYAP1ADORA1
SCHEMBL7974748 0.94 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1HRH2
SCHEMBL7974753 0.94 HCRTR2 (0.46) HCRTR2KMT2AADORA1HCRTR1HRH2
SCHEMBL7975399 0.94 ADORA1 (0.42) HCRTR2ACEKMT2AYAP1ADORA1
SCHEMBL7992516 0.92 HRH2 (0.39) HCRTR2ACEKMT2AYAP1ADORA1
SCHEMBL7975776 0.89 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1HRH2
SCHEMBL7975773 0.89 HCRTR2 (0.47) HCRTR2KMT2AADORA1HCRTR1HRH2
SCHEMBL7986751 0.88 ITGB3 (0.44) HCRTR2KMT2AADORA1HCRTR1P2RX7
SCHEMBL7986850 0.88 ADORA1 (0.46) HCRTR2KMT2AADORA1HCRTR1
SCHEMBL7986852 0.88 ADORA1 (0.46) HCRTR2KMT2AADORA1HCRTR1

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