SCHEMBL7992516

SCHEMBL7992516

CCCCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(OCc3ccccc3)cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
ADORA1 P30542 1/20 0.39
HCRTR2 O43614 5/20 0.39
YAP1 P46937 3/20 0.38
ACE P12821 1/20 0.38
KMT2A Q03164 1/20 0.38
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
HCRTR1 O43613 3/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
P2RX7 Q99572 2/20 0.35

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
SCHEMBL7975399 0.95 ADORA1 (0.42) HRH2HRH1ADORA1HCRTR2YAP1
SCHEMBL7992634 0.93 HCRTR2 (0.43) HRH2HRH1ADORA1HCRTR2YAP1
SCHEMBL7988324 0.92 HCRTR2 (0.42) HRH2HRH1ADORA1HCRTR2YAP1
SCHEMBL7986852 0.90 ADORA1 (0.46) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7986850 0.90 ADORA1 (0.46) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7975776 0.88 HCRTR2 (0.47) HRH2HRH1ADORA1HCRTR2KMT2A
SCHEMBL7975773 0.88 HCRTR2 (0.47) HRH2HRH1ADORA1HCRTR2KMT2A
SCHEMBL7975775 0.87 ADORA1 (0.43) ADORA1HCRTR2KMT2AHCRTR1ITGB3
SCHEMBL7974753 0.86 HCRTR2 (0.46) HRH2HRH1ADORA1HCRTR2KMT2A
SCHEMBL7974748 0.86 HCRTR2 (0.46) HRH2HRH1ADORA1HCRTR2KMT2A

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