SCHEMBL7986565

SCHEMBL7986565

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
YAP1 P46937 3/20 0.47
P2RX7 Q99572 8/20 0.45
PTPN1 P18031 2/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
BCL2 P10415 1/20 0.44
KMT2A Q03164 2/20 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 0.94 ADORA1 (0.50) ADORA1YAP1P2RX7PTPN1HRH2
SCHEMBL7989016 0.90 ADORA1 (0.54) ADORA1P2RX7KMT2A
SCHEMBL7975784 0.89 ADORA1 (0.53) ADORA1P2RX7HRH2HRH1KMT2A
SCHEMBL7986071 0.88 ADORA1 (0.52) ADORA1P2RX7KMT2A
SCHEMBL7992666 0.88 ADORA1 (0.56) ADORA1P2RX7HRH2HRH1KMT2A
SCHEMBL7975232 0.87 ADORA1 (0.51) ADORA1P2RX7HRH2HRH1KMT2A
SCHEMBL7975386 0.87 ADORA1 (0.53) ADORA1HRH2HRH1KMT2A
SCHEMBL7975494 0.87 ADORA1 (0.56) ADORA1HRH2HRH1KMT2A
SCHEMBL7986065 0.86 ADORA1 (0.51) ADORA1P2RX7HRH2HRH1KMT2A
SCHEMBL7985627 0.86 ADORA1 (0.52) ADORA1P2RX7BCL2KMT2A

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